[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C16H13FN2O2 — CID 63846109

IUPAC[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1ccc(F)cc1-c1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C16H13FN2O2/c1-10-7-8-12(17)9-13(10)15-18-16(21-19-15)14(20)11-5-3-2-4-6-11/h2-9,14,20H,1H3
InChIKeyIEWGOQVCYLLVQQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.27
Rot. Bonds3

About [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63846109) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63846109
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1ccc(F)cc1-c1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C16H13FN2O2/c1-10-7-8-12(17)9-13(10)15-18-16(21-19-15)14(20)11-5-3-2-4-6-11/h2-9,14,20H,1H3
InChIKeyIEWGOQVCYLLVQQ-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

Analyze [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63846109) is [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is Cc1ccc(F)cc1-c1noc(C(O)c2ccccc2)n1.
What is the InChIKey of [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is IEWGOQVCYLLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-7-8-12(17)9-13(10)15-18-16(21-19-15)14(20)11-5-3-2-4-6-11/h2-9,14,20H,1H3.
What are the key properties of [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol 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 [3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63846109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).