(4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol

C16H13FN2O2 — CID 134909380

IUPAC(4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCc1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H13FN2O2/c1-10-2-4-12(5-3-10)15-18-16(21-19-15)14(20)11-6-8-13(17)9-7-11/h2-9,14,20H,1H3
InChIKeyMXJSPEICWKLWEU-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.27
Rot. Bonds3

About (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol

(4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 134909380) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID134909380
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCc1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H13FN2O2/c1-10-2-4-12(5-3-10)15-18-16(21-19-15)14(20)11-6-8-13(17)9-7-11/h2-9,14,20H,1H3
InChIKeyMXJSPEICWKLWEU-UHFFFAOYSA-N
XLogP3.27
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol (CID 134909380) is (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol is Cc1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is MXJSPEICWKLWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-2-4-12(5-3-10)15-18-16(21-19-15)14(20)11-6-8-13(17)9-7-11/h2-9,14,20H,1H3.
What are the key properties of (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
(4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 284.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 134909380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).