2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid

C21H20N2O4 — CID 162036780

IUPAC2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)Nc1nc(C(=O)O)co1
InChIInChI=1S/C21H20N2O4/c1-14(24)11-18(22-21-23-19(13-27-21)20(25)26)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,22,23)(H,25,26)/t18-/m0/s1
InChIKeyYWTFHSGLLYAHEK-SFHVURJKSA-N
MW364.40 g/mol
LogP4.04
Rot. Bonds8

About 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid

2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 162036780) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
PubChem CID162036780
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)Nc1nc(C(=O)O)co1
InChIInChI=1S/C21H20N2O4/c1-14(24)11-18(22-21-23-19(13-27-21)20(25)26)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,22,23)(H,25,26)/t18-/m0/s1
InChIKeyYWTFHSGLLYAHEK-SFHVURJKSA-N
XLogP4.04
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenylpropylamino)-1,3-oxazole-4-carboxylic acid
CID 113377258
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 114982862
4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 59608318
2-(2-methylsulfanylanilino)-1,3-oxazole-4-carboxylic acid
CID 107645137
2-(4-methylpent-1-yn-3-ylamino)-1,3-oxazole-4-carboxylic acid
CID 130481552
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 122420570
methyl N-[(2S)-4-oxo-1-phenylpentan-2-yl]carbamate
CID 66831258
3-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 59608270
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid (CID 162036780) is 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid is CC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)Nc1nc(C(=O)O)co1.
What is the InChIKey of 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is YWTFHSGLLYAHEK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(24)11-18(22-21-23-19(13-27-21)20(25)26)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3,(H,22,23)(H,25,26)/t18-/m0/s1.
What are the key properties of 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 162036780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).