2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid

C16H18N2O4 — CID 119201948

IUPAC2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCc1ocnc1C(=O)NC(CC)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-12-13(17-10-22-12)14(19)18-16(4-2,15(20)21)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPRMBASSFPKBGCZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.36
Rot. Bonds6

About 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid

2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid (PubChem CID 119201948) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
PubChem CID119201948
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCc1ocnc1C(=O)NC(CC)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-12-13(17-10-22-12)14(19)18-16(4-2,15(20)21)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPRMBASSFPKBGCZ-UHFFFAOYSA-N
XLogP2.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201237
2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
CID 68637832
2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201770
2-[[4-(oxan-4-yloxy)benzoyl]amino]-2-phenylbutanoic acid
CID 119202072
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476
2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201712
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid
CID 119202013
2-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201684
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
CID 119201999
2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
CID 119202071

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid (CID 119201948) is 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid is CCc1ocnc1C(=O)NC(CC)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid?
The InChIKey is PRMBASSFPKBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-12-13(17-10-22-12)14(19)18-16(4-2,15(20)21)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid?
2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).