(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol

C16H14N2O2 — CID 63758125

IUPAC(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C16H14N2O2/c19-11-14-17-16(18-20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,19H,11H2
InChIKeyAJSWFCSXSAMOAM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.74
Rot. Bonds4

About (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol

(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 63758125) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID63758125
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C16H14N2O2/c19-11-14-17-16(18-20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,19H,11H2
InChIKeyAJSWFCSXSAMOAM-UHFFFAOYSA-N
XLogP2.74
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol (CID 63758125) is (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol is OCc1nc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is AJSWFCSXSAMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-11-14-17-16(18-20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,19H,11H2.
What are the key properties of (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol?
(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 266.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 63758125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).