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

C14H14N2O4 — CID 107272302

IUPAC3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCc1cc(C(=O)Nc2ccccc2CCC(=O)O)on1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(20-16-9)14(19)15-11-5-3-2-4-10(11)6-7-13(17)18/h2-5,8H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyRLNLZLCCZDBFLT-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.25
Rot. Bonds5

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

3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid (PubChem CID 107272302) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
PubChem CID107272302
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCc1cc(C(=O)Nc2ccccc2CCC(=O)O)on1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(20-16-9)14(19)15-11-5-3-2-4-10(11)6-7-13(17)18/h2-5,8H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyRLNLZLCCZDBFLT-UHFFFAOYSA-N
XLogP2.25
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-[2-(2-methoxyethyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 166217471
N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 166206533
3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272535
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid (CID 107272302) is 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid is Cc1cc(C(=O)Nc2ccccc2CCC(=O)O)on1.
What is the InChIKey of 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is RLNLZLCCZDBFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-8-12(20-16-9)14(19)15-11-5-3-2-4-10(11)6-7-13(17)18/h2-5,8H,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 107272302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).