[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate

C15H17NO4 — CID 95173634

IUPAC[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESC[C@H](C(=O)O[C@H](C)C1CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H17NO4/c1-9(14(17)19-10(2)11-7-8-11)16-12-5-3-4-6-13(12)20-15(16)18/h3-6,9-11H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBMKHOAAVDUEJRM-NXEZZACHSA-N
MW275.30 g/mol
LogP2.50
Rot. Bonds4

About [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate

[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate (PubChem CID 95173634) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Name[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
PubChem CID95173634
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESC[C@H](C(=O)O[C@H](C)C1CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H17NO4/c1-9(14(17)19-10(2)11-7-8-11)16-12-5-3-4-6-13(12)20-15(16)18/h3-6,9-11H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBMKHOAAVDUEJRM-NXEZZACHSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18886776
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
propan-2-yl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345297
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55710464
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 55562742
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 37400112
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42934146
3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18142226
methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate
CID 55506554
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The IUPAC name of [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CID 95173634) is [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
What is the SMILES notation for [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The canonical SMILES for [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate is C[C@H](C(=O)O[C@H](C)C1CC1)n1c(=O)oc2ccccc21.
What is the InChIKey of [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The InChIKey is BMKHOAAVDUEJRM-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(14(17)19-10(2)11-7-8-11)16-12-5-3-4-6-13(12)20-15(16)18/h3-6,9-11H,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate has a molecular weight of 275.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 95173634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).