(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide

C14H16N4O3 — CID 95153740

IUPAC(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
SMILESCc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(N)=O)no1
InChIInChI=1S/C14H16N4O3/c1-9-7-12(18-21-9)17-14(20)16-11(13(15)19)8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H2,15,19)(H2,16,17,18,20)/t11-/m0/s1
InChIKeyIDQHKMOCYRCGIM-NSHDSACASA-N
MW288.31 g/mol
LogP1.20
Rot. Bonds5

About (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide

(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide (PubChem CID 95153740) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
PubChem CID95153740
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
SMILESCc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(N)=O)no1
InChIInChI=1S/C14H16N4O3/c1-9-7-12(18-21-9)17-14(20)16-11(13(15)19)8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H2,15,19)(H2,16,17,18,20)/t11-/m0/s1
InChIKeyIDQHKMOCYRCGIM-NSHDSACASA-N
XLogP1.20
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide
CID 110673292
4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
CID 108812104
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 74170896
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864
(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
CID 102092289
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide (CID 95153740) is (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide is Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(N)=O)no1.
What is the InChIKey of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is IDQHKMOCYRCGIM-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-12(18-21-9)17-14(20)16-11(13(15)19)8-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H2,15,19)(H2,16,17,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide?
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 288.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 95153740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).