B 506
C₇H₁₅Cl₂N₂O₂P·261.080 g/mol·CID 98420
IUPAC: N,N-bis(2-chloroethyl)-5-methyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Also known as: NSC 126577, BRN 0980768, 7327-14-2, 2-(Bis(2-chloroethyl)amino)-5-methyl-1,3,2-oxazaphospholidine 2-oxide, 1,3,2-Oxazaphospholidin-2-amine, N,N-bis(2-chloroethyl)-5-methyl-, 2-oxide (+9 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
261.080g/mol
Exact Mass
260.024820Da
Monoisotopic Mass
260.024820Da
XLogP
0.8
Polar Surface Area
41.6Ų
Complexity
224
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 261.1 g/mol
MW ≤ 500
✓ 0.8
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C7H15Cl2N2O2P/c1-7-6-10-14(12,13-7)11(4-2-8)5-3-9/h7H,2-6H2,1H3,(H,10,12)
Isomers8 compounds with formula C₇H₁₅Cl₂N₂O₂P
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 2907 · 261.1 g/mol
N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 3690 · 261.1 g/mol
(2R)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9554282 · 261.1 g/mol
(2S)-N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9588019 · 261.1 g/mol
(2R)-N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9588020 · 261.1 g/mol
(2S)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9554281 · 261.1 g/mol
N,N-bis(2-chloroethyl)-5,5-dideuterio-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 84061 · 263.1 g/mol
3-(2-chloroethyl)-2-(2-chloroethylamino)-1,3,2-oxazaphosphinan-4-ol
CID 115317 · 261.1 g/mol