3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid

C15H8F2N2O4 — CID 135924122

IUPAC3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(-c2noc(-c3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C15H8F2N2O4/c16-9-3-8(4-10(17)6-9)14-18-13(19-23-14)11-5-7(15(21)22)1-2-12(11)20/h1-6,20H,(H,21,22)
InChIKeySYUWHWDSZGYCSB-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.09
Rot. Bonds3

About 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid

3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid (PubChem CID 135924122) has the molecular formula C15H8F2N2O4 and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
PubChem CID135924122
Molecular FormulaC15H8F2N2O4
Molecular Weight318.24 g/mol
Exact Mass318.05
IUPAC Name3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(-c2noc(-c3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C15H8F2N2O4/c16-9-3-8(4-10(17)6-9)14-18-13(19-23-14)11-5-7(15(21)22)1-2-12(11)20/h1-6,20H,(H,21,22)
InChIKeySYUWHWDSZGYCSB-UHFFFAOYSA-N
XLogP3.09
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 135924137
4-hydroxy-3-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;molecular hydrogen
CID 145498654
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 129038073
4-methoxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 54391138
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
The IUPAC name of 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid (CID 135924122) is 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(-c2noc(-c3cc(F)cc(F)c3)n2)c1.
What is the InChIKey of 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
The InChIKey is SYUWHWDSZGYCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O4/c16-9-3-8(4-10(17)6-9)14-18-13(19-23-14)11-5-7(15(21)22)1-2-12(11)20/h1-6,20H,(H,21,22).
What are the key properties of 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid has a molecular weight of 318.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid is sourced from PubChem (CID 135924122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).