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

C15H16N2O4 — CID 120540971

IUPAC2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCc1cc(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)on1
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)7-11-3-5-12(6-4-11)16-14(18)13-8-10(2)17-21-13/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCZPHPPBWVUXRMI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.50
Rot. Bonds5

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

2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid (PubChem CID 120540971) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
PubChem CID120540971
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCc1cc(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)on1
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)7-11-3-5-12(6-4-11)16-14(18)13-8-10(2)17-21-13/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCZPHPPBWVUXRMI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120541105
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
(E)-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 60749768
3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 95152103
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid (CID 120540971) is 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid is Cc1cc(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)on1.
What is the InChIKey of 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is CZPHPPBWVUXRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(15(19)20)7-11-3-5-12(6-4-11)16-14(18)13-8-10(2)17-21-13/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 120540971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).