4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid

C16H13NO3 — CID 71415133

IUPAC4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H13NO3/c18-16(19)13-8-6-11(7-9-13)14-10-15(20-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)
InChIKeyULRUYZKDCOSNMJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.25
Rot. Bonds3

About 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid

4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid (PubChem CID 71415133) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
PubChem CID71415133
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H13NO3/c18-16(19)13-8-6-11(7-9-13)14-10-15(20-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)
InChIKeyULRUYZKDCOSNMJ-UHFFFAOYSA-N
XLogP3.25
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-butylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]benzoic acid
CID 90698839
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127263038
N-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetamide
CID 121221970
1-methyl-6-oxo-5-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]pyridazine-3-carboxylic acid
CID 129386432
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
CID 25115791
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
4-[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]aniline
CID 66968517
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid (CID 71415133) is 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid is O=C(O)c1ccc(C2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
The InChIKey is ULRUYZKDCOSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(19)13-8-6-11(7-9-13)14-10-15(20-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19).
What are the key properties of 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid is sourced from PubChem (CID 71415133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).