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

C17H13NO4 — CID 58804845

IUPAC3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2cnc(-c3cccc(C(=O)O)c3)o2)cc1
InChIInChI=1S/C17H13NO4/c1-21-14-7-5-11(6-8-14)15-10-18-16(22-15)12-3-2-4-13(9-12)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyRYRHGPJHAQRXAS-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.72
Rot. Bonds4

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

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid (PubChem CID 58804845) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
PubChem CID58804845
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2cnc(-c3cccc(C(=O)O)c3)o2)cc1
InChIInChI=1S/C17H13NO4/c1-21-14-7-5-11(6-8-14)15-10-18-16(22-15)12-3-2-4-13(9-12)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyRYRHGPJHAQRXAS-UHFFFAOYSA-N
XLogP3.72
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride
CID 68978229
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 928446
[4-(5-phenyl-1,3-oxazol-2-yl)phenyl] acetate
CID 24962592
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
CID 71501498
5-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylaniline
CID 143054394
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-2-amine
CID 71401542
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid (CID 58804845) is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid is COc1ccc(-c2cnc(-c3cccc(C(=O)O)c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is RYRHGPJHAQRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-14-7-5-11(6-8-14)15-10-18-16(22-15)12-3-2-4-13(9-12)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid?
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 58804845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).