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

C15H16N2O4 — CID 119237689

IUPAC2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
SMILESCc1ccc(-c2cc(C(=O)NCC(C)C(=O)O)on2)cc1
InChIInChI=1S/C15H16N2O4/c1-9-3-5-11(6-4-9)12-7-13(21-17-12)14(18)16-8-10(2)15(19)20/h3-7,10H,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZROZEZJEVMVPNZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.10
Rot. Bonds5

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

2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid (PubChem CID 119237689) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
PubChem CID119237689
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
SMILESCc1ccc(-c2cc(C(=O)NCC(C)C(=O)O)on2)cc1
InChIInChI=1S/C15H16N2O4/c1-9-3-5-11(6-4-9)12-7-13(21-17-12)14(18)16-8-10(2)15(19)20/h3-7,10H,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZROZEZJEVMVPNZ-UHFFFAOYSA-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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Related Compounds

3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 46445645
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
4-[[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541889
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119204643
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 38496686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid (CID 119237689) is 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid is Cc1ccc(-c2cc(C(=O)NCC(C)C(=O)O)on2)cc1.
What is the InChIKey of 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
The InChIKey is ZROZEZJEVMVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-3-5-11(6-4-9)12-7-13(21-17-12)14(18)16-8-10(2)15(19)20/h3-7,10H,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid?
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic 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 2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119237689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).