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

C17H16N2O2 — CID 63345566

IUPAC2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCc1ccccc1-c1noc(CC(O)c2ccccc2)n1
InChIInChI=1S/C17H16N2O2/c1-12-7-5-6-10-14(12)17-18-16(21-19-17)11-15(20)13-8-3-2-4-9-13/h2-10,15,20H,11H2,1H3
InChIKeyCOPJTSFTTRUMEP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds4

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

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (PubChem CID 63345566) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
PubChem CID63345566
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCc1ccccc1-c1noc(CC(O)c2ccccc2)n1
InChIInChI=1S/C17H16N2O2/c1-12-7-5-6-10-14(12)17-18-16(21-19-17)11-15(20)13-8-3-2-4-9-13/h2-10,15,20H,11H2,1H3
InChIKeyCOPJTSFTTRUMEP-UHFFFAOYSA-N
XLogP3.32
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (CID 63345566) is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is Cc1ccccc1-c1noc(CC(O)c2ccccc2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The InChIKey is COPJTSFTTRUMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-5-6-10-14(12)17-18-16(21-19-17)11-15(20)13-8-3-2-4-9-13/h2-10,15,20H,11H2,1H3.
What are the key properties of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol has a molecular weight of 280.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 63345566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).