4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid

C25H20FNO5 — CID 142703448

IUPAC4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
SMILESCOc1cc(-c2ccccc2)c(C)c(OC)c1-c1cc(-c2ccc(C(=O)O)c(F)c2)no1
InChIInChI=1S/C25H20FNO5/c1-14-18(15-7-5-4-6-8-15)12-21(30-2)23(24(14)31-3)22-13-20(27-32-22)16-9-10-17(25(28)29)19(26)11-16/h4-13H,1-3H3,(H,28,29)
InChIKeyMEPGVGYRPWRHAZ-UHFFFAOYSA-N
MW433.44 g/mol
LogP5.84
Rot. Bonds6

About 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid

4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid (PubChem CID 142703448) has the molecular formula C25H20FNO5 and a molecular weight of 433.44 g/mol. Its IUPAC name is 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
PubChem CID142703448
Molecular FormulaC25H20FNO5
Molecular Weight433.44 g/mol
Exact Mass433.13
IUPAC Name4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
SMILESCOc1cc(-c2ccccc2)c(C)c(OC)c1-c1cc(-c2ccc(C(=O)O)c(F)c2)no1
InChIInChI=1S/C25H20FNO5/c1-14-18(15-7-5-4-6-8-15)12-21(30-2)23(24(14)31-3)22-13-20(27-32-22)16-9-10-17(25(28)29)19(26)11-16/h4-13H,1-3H3,(H,28,29)
InChIKeyMEPGVGYRPWRHAZ-UHFFFAOYSA-N
XLogP5.84
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[2,6-difluoro-3-(methoxymethyl)-4-phenylphenyl]-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703530
methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
CID 142703451
N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
CID 142703431
2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
CID 142703568
2-fluoro-4-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255870
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 142703560
4-[2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenoxy]butanoic acid
CID 142703542
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid?
The IUPAC name of 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid (CID 142703448) is 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid is COc1cc(-c2ccccc2)c(C)c(OC)c1-c1cc(-c2ccc(C(=O)O)c(F)c2)no1.
What is the InChIKey of 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid?
The InChIKey is MEPGVGYRPWRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO5/c1-14-18(15-7-5-4-6-8-15)12-21(30-2)23(24(14)31-3)22-13-20(27-32-22)16-9-10-17(25(28)29)19(26)11-16/h4-13H,1-3H3,(H,28,29).
What are the key properties of 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid?
4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid has a molecular weight of 433.44 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 142703448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).