3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid

C14H14N2O4 — CID 63793346

IUPAC3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
SMILESCc1cc(C(=O)NCCc2cccc(C(=O)O)c2)no1
InChIInChI=1S/C14H14N2O4/c1-9-7-12(16-20-9)13(17)15-6-5-10-3-2-4-11(8-10)14(18)19/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyOCOMPFACAVJNNB-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.65
Rot. Bonds5

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

3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid (PubChem CID 63793346) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
PubChem CID63793346
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
SMILESCc1cc(C(=O)NCCc2cccc(C(=O)O)c2)no1
InChIInChI=1S/C14H14N2O4/c1-9-7-12(16-20-9)13(17)15-6-5-10-3-2-4-11(8-10)14(18)19/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyOCOMPFACAVJNNB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 91813357
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514
N-[(3-carbamothioylphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66156353
3-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethyl]benzoic acid
CID 63793372
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 63795456
3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 75356313
3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
CID 120689485

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid (CID 63793346) is 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid is Cc1cc(C(=O)NCCc2cccc(C(=O)O)c2)no1.
What is the InChIKey of 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is OCOMPFACAVJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-7-12(16-20-9)13(17)15-6-5-10-3-2-4-11(8-10)14(18)19/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63793346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).