2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C15H16N2O4 — CID 119233563

IUPAC2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(Cc2ccccc2)C(=O)O)on1
InChIInChI=1S/C15H16N2O4/c1-10-7-13(21-17-10)14(18)16-9-12(15(19)20)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyFIKWMJXUGAWWHV-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.66
Rot. Bonds6

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

2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 119233563) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID119233563
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(Cc2ccccc2)C(=O)O)on1
InChIInChI=1S/C15H16N2O4/c1-10-7-13(21-17-10)14(18)16-9-12(15(19)20)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyFIKWMJXUGAWWHV-UHFFFAOYSA-N
XLogP1.66
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115598819
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62651855
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63311080

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 119233563) is 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NCC(Cc2ccccc2)C(=O)O)on1.
What is the InChIKey of 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is FIKWMJXUGAWWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-7-13(21-17-10)14(18)16-9-12(15(19)20)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119233563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).