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

C16H11FN2O3 — CID 139441300

IUPAC3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H11FN2O3/c17-12-4-6-13(7-5-12)19-16-18-9-14(22-16)10-2-1-3-11(8-10)15(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeySIRNYPGHFNRVIA-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.92
Rot. Bonds4

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

3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid (PubChem CID 139441300) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
PubChem CID139441300
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H11FN2O3/c17-12-4-6-13(7-5-12)19-16-18-9-14(22-16)10-2-1-3-11(8-10)15(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeySIRNYPGHFNRVIA-UHFFFAOYSA-N
XLogP3.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoic acid
CID 59233741
[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol
CID 139441363
3-[4-(4-fluorophenyl)furan-2-yl]benzoic acid
CID 118486607
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
The IUPAC name of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid (CID 139441300) is 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
The canonical SMILES for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid is O=C(O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
The InChIKey is SIRNYPGHFNRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-12-4-6-13(7-5-12)19-16-18-9-14(22-16)10-2-1-3-11(8-10)15(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid?
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid has a molecular weight of 298.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 139441300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).