3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid

C17H18N2O4 — CID 120528887

IUPAC3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-10-14(23-16(19-10)12-7-8-12)15(20)18-9-13(17(21)22)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyCREVTJFLEHPGLD-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.46
Rot. Bonds6

About 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid

3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 120528887) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID120528887
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-10-14(23-16(19-10)12-7-8-12)15(20)18-9-13(17(21)22)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyCREVTJFLEHPGLD-UHFFFAOYSA-N
XLogP2.46
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120522817
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
CID 120524103
3-(4-bromophenyl)-3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 120516143
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 120517979
2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
CID 120528796
N-[(1-carbamoylcyclopentyl)methyl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166212342
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid (CID 120528887) is 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid is Cc1nc(C2CC2)oc1C(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is CREVTJFLEHPGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-14(23-16(19-10)12-7-8-12)15(20)18-9-13(17(21)22)11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid?
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 120528887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).