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

C15H9FN2O4 — CID 91051378

IUPAC2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H9FN2O4/c16-9-3-1-2-8(6-9)14-17-13(18-22-14)12-7-10(19)4-5-11(12)15(20)21/h1-7,19H,(H,20,21)
InChIKeySRCMKHRFBPQYBQ-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.95
Rot. Bonds3

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

2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid (PubChem CID 91051378) has the molecular formula C15H9FN2O4 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
PubChem CID91051378
Molecular FormulaC15H9FN2O4
Molecular Weight300.25 g/mol
Exact Mass300.05
IUPAC Name2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H9FN2O4/c16-9-3-1-2-8(6-9)14-17-13(18-22-14)12-7-10(19)4-5-11(12)15(20)21/h1-7,19H,(H,20,21)
InChIKeySRCMKHRFBPQYBQ-UHFFFAOYSA-N
XLogP2.95
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-Iodophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136099769
4-[3-(2-methylphenyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one
CID 798302
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747242
4-[5-[2-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747246
4-[5-(4-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-(3-Phenyl-[1,2,4]oxadiazol-5-yl)-phenol
CID 135878213
4-[3-(4-Benzylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028416
4-[3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137284695
2,2,2-Trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 171520174
4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
4-(5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl)phenol
CID 3914603
2-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 44517658

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid (CID 91051378) is 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1-c1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
The InChIKey is SRCMKHRFBPQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O4/c16-9-3-1-2-8(6-9)14-17-13(18-22-14)12-7-10(19)4-5-11(12)15(20)21/h1-7,19H,(H,20,21).
What are the key properties of 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid?
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid has a molecular weight of 300.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid is sourced from PubChem (CID 91051378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).