4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid

C17H14N2O4 — CID 166108179

IUPAC4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESCOc1cccc(Nc2ncc(-c3ccc(C(=O)O)cc3)o2)c1
InChIInChI=1S/C17H14N2O4/c1-22-14-4-2-3-13(9-14)19-17-18-10-15(23-17)11-5-7-12(8-6-11)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyOVNZZGMJYUUJKN-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.79
Rot. Bonds5

About 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid

4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid (PubChem CID 166108179) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
PubChem CID166108179
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESCOc1cccc(Nc2ncc(-c3ccc(C(=O)O)cc3)o2)c1
InChIInChI=1S/C17H14N2O4/c1-22-14-4-2-3-13(9-14)19-17-18-10-15(23-17)11-5-7-12(8-6-11)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyOVNZZGMJYUUJKN-UHFFFAOYSA-N
XLogP3.79
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[3-methoxy-5-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108228
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
CID 166108173
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 58804845
4-[[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194354
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid?
The IUPAC name of 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid (CID 166108179) is 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid is COc1cccc(Nc2ncc(-c3ccc(C(=O)O)cc3)o2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid?
The InChIKey is OVNZZGMJYUUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-14-4-2-3-13(9-14)19-17-18-10-15(23-17)11-5-7-12(8-6-11)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid?
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 166108179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).