3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid

C15H16N2O4 — CID 75368322

IUPAC3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)Cc2ccccc2)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-13(15(19)20)14(21-17-9)10(2)16-12(18)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyNQQRWTSUIPWAMR-SNVBAGLBSA-N
MW288.30 g/mol
LogP2.10
Rot. Bonds5

About 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid

3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 75368322) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID75368322
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)Cc2ccccc2)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-13(15(19)20)14(21-17-9)10(2)16-12(18)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyNQQRWTSUIPWAMR-SNVBAGLBSA-N
XLogP2.10
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid (CID 75368322) is 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NC(=O)Cc2ccccc2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is NQQRWTSUIPWAMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-13(15(19)20)14(21-17-9)10(2)16-12(18)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H,16,18)(H,19,20)/t10-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).