2-hexyl-4,5-dimethyloxazole
C₁₁H₁₉NO·181.270 g/mol·CID 525781
IUPAC: 2-hexyl-4,5-dimethyl-1,3-oxazole
Also known as: 2-Hexyl-4,5-dimethyl-1,3-oxazole, Oxazole, 2-hexyl-4,5-dimethyl-, 20662-87-7, SCHEMBL30665022, DTXSID40335545 (+3 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.270g/mol
Exact Mass
181.146664Da
Monoisotopic Mass
181.146664Da
XLogP
4.0
Polar Surface Area
26.0Ų
Complexity
138
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
5
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.3 g/mol
MW ≤ 500
✓ 4.0
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
Isomers8 compounds with formula C₁₁H₁₉NO
benzyl(trimethyl)azanium;methanolate
CID 8504 · 181.3 g/mol
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10313386 · 181.3 g/mol
N-ethylnona-2,6-dienamide
CID 57351458 · 181.3 g/mol
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884 · 181.3 g/mol
5,5-dimethyl-3-(propylamino)cyclohex-2-en-1-one
CID 143371 · 181.3 g/mol
4-(cyclohepten-1-yl)morpholine
CID 306092 · 181.3 g/mol
2-butyl-4,5-diethyl-1,3-oxazole
CID 525778 · 181.3 g/mol
2-butyl-5-methyl-4-propyl-1,3-oxazole
CID 525779 · 181.3 g/mol