N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C28H27N3O3 — CID 93138369

IUPACN-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)no2)cc1
InChIInChI=1S/C28H27N3O3/c1-20-13-15-23(16-14-20)26-18-24(30-34-26)27(32)29-25(17-21-9-5-3-6-10-21)28(33)31(2)19-22-11-7-4-8-12-22/h3-16,18,25H,17,19H2,1-2H3,(H,29,32)/t25-/m0/s1
InChIKeyORKOTRBXTVBPOM-VWLOTQADSA-N
MW453.54 g/mol
LogP4.65
Rot. Bonds8

About N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 93138369) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID93138369
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)no2)cc1
InChIInChI=1S/C28H27N3O3/c1-20-13-15-23(16-14-20)26-18-24(30-34-26)27(32)29-25(17-21-9-5-3-6-10-21)28(33)31(2)19-22-11-7-4-8-12-22/h3-16,18,25H,17,19H2,1-2H3,(H,29,32)/t25-/m0/s1
InChIKeyORKOTRBXTVBPOM-VWLOTQADSA-N
XLogP4.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide 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

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93140608
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143742
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822366
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112792526
5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide
CID 145176101
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 110281714

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 93138369) is N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)no2)cc1.
What is the InChIKey of N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ORKOTRBXTVBPOM-VWLOTQADSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-20-13-15-23(16-14-20)26-18-24(30-34-26)27(32)29-25(17-21-9-5-3-6-10-21)28(33)31(2)19-22-11-7-4-8-12-22/h3-16,18,25H,17,19H2,1-2H3,(H,29,32)/t25-/m0/s1.
What are the key properties of N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93138369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).