2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole

C16H14N2O2 — CID 141123702

IUPAC2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(COc2ccc(Cc3nnco3)cc2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-4-14(5-3-1)11-19-15-8-6-13(7-9-15)10-16-18-17-12-20-16/h1-9,12H,10-11H2
InChIKeyOYXBUSUBTFVAKC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.24
Rot. Bonds5

About 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole

2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 141123702) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole
PubChem CID141123702
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(COc2ccc(Cc3nnco3)cc2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-4-14(5-3-1)11-19-15-8-6-13(7-9-15)10-16-18-17-12-20-16/h1-9,12H,10-11H2
InChIKeyOYXBUSUBTFVAKC-UHFFFAOYSA-N
XLogP3.24
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
CID 68649972
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
CID 110186685
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole (CID 141123702) is 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole is c1ccc(COc2ccc(Cc3nnco3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is OYXBUSUBTFVAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-4-14(5-3-1)11-19-15-8-6-13(7-9-15)10-16-18-17-12-20-16/h1-9,12H,10-11H2.
What are the key properties of 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole?
2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141123702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).