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

C22H18N2O3 — CID 2998921

IUPAC(3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESOC(c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)17-10-5-2-6-11-17)18-12-7-13-19(14-18)26-15-16-8-3-1-4-9-16/h1-14,20,25H,15H2
InChIKeyLOLWMDFPQUOWLY-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.40
Rot. Bonds6

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

(3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 2998921) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID2998921
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESOC(c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)17-10-5-2-6-11-17)18-12-7-13-19(14-18)26-15-16-8-3-1-4-9-16/h1-14,20,25H,15H2
InChIKeyLOLWMDFPQUOWLY-UHFFFAOYSA-N
XLogP4.40
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 2998921) is (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is OC(c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is LOLWMDFPQUOWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)17-10-5-2-6-11-17)18-12-7-13-19(14-18)26-15-16-8-3-1-4-9-16/h1-14,20,25H,15H2.
What are the key properties of (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
(3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol has a molecular weight of 358.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 2998921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).