3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

C16H16N2O4 — CID 75429233

IUPAC3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(-c2ccccc2)on1)C1CC1
InChIInChI=1S/C16H16N2O4/c19-15(20)9-12(10-6-7-10)17-16(21)13-8-14(22-18-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,17,21)(H,19,20)
InChIKeyNKNALVDIBHPING-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.32
Rot. Bonds6

About 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (PubChem CID 75429233) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
PubChem CID75429233
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(-c2ccccc2)on1)C1CC1
InChIInChI=1S/C16H16N2O4/c19-15(20)9-12(10-6-7-10)17-16(21)13-8-14(22-18-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,17,21)(H,19,20)
InChIKeyNKNALVDIBHPING-UHFFFAOYSA-N
XLogP2.32
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119616138
N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 166249987
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877210
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (CID 75429233) is 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cc(-c2ccccc2)on1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The InChIKey is NKNALVDIBHPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(20)9-12(10-6-7-10)17-16(21)13-8-14(22-18-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,17,21)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 75429233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).