2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole

C16H14N2O2 — CID 1490886

IUPAC2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1ccc(COc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C16H14N2O2/c1-12-2-4-13(5-3-12)10-19-15-8-6-14(7-9-15)16-18-17-11-20-16/h2-9,11H,10H2,1H3
InChIKeyTYQWIGAIJAUOMY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole

2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 1490886) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID1490886
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1ccc(COc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C16H14N2O2/c1-12-2-4-13(5-3-12)10-19-15-8-6-14(7-9-15)16-18-17-11-20-16/h2-9,11H,10H2,1H3
InChIKeyTYQWIGAIJAUOMY-UHFFFAOYSA-N
XLogP3.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole (CID 1490886) is 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole is Cc1ccc(COc2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is TYQWIGAIJAUOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-2-4-13(5-3-12)10-19-15-8-6-14(7-9-15)16-18-17-11-20-16/h2-9,11H,10H2,1H3.
What are the key properties of 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole?
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 1490886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).