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

C19H21N3O3 — CID 95255142

IUPAC(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-12(14-6-4-3-5-7-14)11-20-18(23)13(2)21-15-8-9-17-16(10-15)22-19(24)25-17/h3-10,12-13,21H,11H2,1-2H3,(H,20,23)(H,22,24)/t12-,13+/m1/s1
InChIKeyCOQLZVGCNAJHCA-OLZOCXBDSA-N
MW339.40 g/mol
LogP2.84
Rot. Bonds6

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

(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 95255142) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID95255142
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-12(14-6-4-3-5-7-14)11-20-18(23)13(2)21-15-8-9-17-16(10-15)22-19(24)25-17/h3-10,12-13,21H,11H2,1-2H3,(H,20,23)(H,22,24)/t12-,13+/m1/s1
InChIKeyCOQLZVGCNAJHCA-OLZOCXBDSA-N
XLogP2.84
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]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-[(1R)-1-phenylethyl]propanamide
CID 95307128
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
CID 95302647
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
(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
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110607882
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 166190370

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide (CID 95255142) is (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is COQLZVGCNAJHCA-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(14-6-4-3-5-7-14)11-20-18(23)13(2)21-15-8-9-17-16(10-15)22-19(24)25-17/h3-10,12-13,21H,11H2,1-2H3,(H,20,23)(H,22,24)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide?
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.84, 6 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-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 95255142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).