(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide

C18H19N3O3 — CID 95307128

IUPAC(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-11(13-6-4-3-5-7-13)20-17(22)12(2)19-14-8-9-16-15(10-14)21-18(23)24-16/h3-12,19H,1-2H3,(H,20,22)(H,21,23)/t11-,12+/m1/s1
InChIKeyXRDQCQRHPYAITJ-NEPJUHHUSA-N
MW325.37 g/mol
LogP2.80
Rot. Bonds5

About (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide

(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 95307128) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID95307128
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-11(13-6-4-3-5-7-13)20-17(22)12(2)19-14-8-9-16-15(10-14)21-18(23)24-16/h3-12,19H,1-2H3,(H,20,22)(H,21,23)/t11-,12+/m1/s1
InChIKeyXRDQCQRHPYAITJ-NEPJUHHUSA-N
XLogP2.80
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide 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

(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
CID 95255142
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
4-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile
CID 43741551
6-amino-5-(1-phenylethylamino)-3H-1,3-benzoxazol-2-one
CID 115425038
5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
5-[1-(2,5-dihydroxyphenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741545
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019681

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide (CID 95307128) is (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide is C[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is XRDQCQRHPYAITJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(13-6-4-3-5-7-13)20-17(22)12(2)19-14-8-9-16-15(10-14)21-18(23)24-16/h3-12,19H,1-2H3,(H,20,22)(H,21,23)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide?
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 95307128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).