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

C22H18N2O3 — CID 4567382

IUPAC(4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESOC(c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)18-9-5-2-6-10-18)17-11-13-19(14-12-17)26-15-16-7-3-1-4-8-16/h1-14,20,25H,15H2
InChIKeyWNLSGAAZWQWYGD-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.40
Rot. Bonds6

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

(4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 4567382) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID4567382
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESOC(c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)18-9-5-2-6-10-18)17-11-13-19(14-12-17)26-15-16-7-3-1-4-8-16/h1-14,20,25H,15H2
InChIKeyWNLSGAAZWQWYGD-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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Related Compounds

2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
2-[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 712390
2-(4-Ethoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole
CID 865999
[4-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-phenoxy]-acetic acid ethyl ester
CID 647355
2-(4-Isobutoxy-phenyl)-5-(4-methoxy-phenyl)-[1,3,4]oxadiazole
CID 863663
2-(4-Ethoxy-phenyl)-5-(4-methoxy-phenyl)-[1,3,4]oxadiazole
CID 866008
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2089454
2-[4-[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]ethanol
CID 46227040
2-[2-[4-[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]ethoxy]ethanol
CID 46227041
2-[2-[2-[4-[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 46227045
2-(Phenoxymethyl)-5-phenyl-1,3,4-oxadiazole
CID 4492340
(3-Phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2998921

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 4567382) is (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is OC(c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is WNLSGAAZWQWYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)18-9-5-2-6-10-18)17-11-13-19(14-12-17)26-15-16-7-3-1-4-8-16/h1-14,20,25H,15H2.
What are the key properties of (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
(4-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 (4-phenylmethoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 4567382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).