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

C16H13FN2O2 — CID 63845574

IUPAC[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1cc(-c2noc(C(O)c3ccccc3)n2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-10-9-12(7-8-13(10)17)15-18-16(21-19-15)14(20)11-5-3-2-4-6-11/h2-9,14,20H,1H3
InChIKeyILWOVLWBSAVZSM-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.27
Rot. Bonds3

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

[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63845574) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63845574
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1cc(-c2noc(C(O)c3ccccc3)n2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-10-9-12(7-8-13(10)17)15-18-16(21-19-15)14(20)11-5-3-2-4-6-11/h2-9,14,20H,1H3
InChIKeyILWOVLWBSAVZSM-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 [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63845574) is [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is Cc1cc(-c2noc(C(O)c3ccccc3)n2)ccc1F.
What is the InChIKey of [3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is ILWOVLWBSAVZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-9-12(7-8-13(10)17)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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63845574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).