[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C19H17N3O4 — CID 9452044

IUPAC[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-12-15(17(20)26-22-12)19(24)25-16(13-8-4-2-5-9-13)18(23)21-14-10-6-3-7-11-14/h2-11,16H,20H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyBMVARXBYXRUVAO-INIZCTEOSA-N
MW351.36 g/mol
LogP3.10
Rot. Bonds5

About [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 9452044) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID9452044
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-12-15(17(20)26-22-12)19(24)25-16(13-8-4-2-5-9-13)18(23)21-14-10-6-3-7-11-14/h2-11,16H,20H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyBMVARXBYXRUVAO-INIZCTEOSA-N
XLogP3.10
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550447
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7547612
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 27062703
[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570742
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 16570945
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46675040
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639171
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate
CID 46675498

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 9452044) is [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)O[C@H](C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is BMVARXBYXRUVAO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-15(17(20)26-22-12)19(24)25-16(13-8-4-2-5-9-13)18(23)21-14-10-6-3-7-11-14/h2-11,16H,20H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 9452044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).