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

C14H14N2O4 — CID 115339293

IUPAC3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESCc1oncc1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-9-12(8-15-20-9)14(19)16-11-4-2-3-10(7-11)5-6-13(17)18/h2-4,7-8H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyUKMRAZLTGAKKSF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.25
Rot. Bonds5

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

3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339293) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339293
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESCc1oncc1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-9-12(8-15-20-9)14(19)16-11-4-2-3-10(7-11)5-6-13(17)18/h2-4,7-8H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyUKMRAZLTGAKKSF-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

ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330
3-[3-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 120613979
3-[3-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120538137
5-methyl-N-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689679
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339246
3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 120538133
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid (CID 115339293) is 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid is Cc1oncc1C(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is UKMRAZLTGAKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-12(8-15-20-9)14(19)16-11-4-2-3-10(7-11)5-6-13(17)18/h2-4,7-8H,5-6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(5-methyl-1,2-oxazole-4-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-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).