5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole

C16H14N2O2 — CID 912623

IUPAC5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H14N2O2/c1-12-7-9-14(10-8-12)19-11-15-17-16(18-20-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyQXOWFMYRZSTHIB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.62
Rot. Bonds4

About 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole

5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 912623) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID912623
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H14N2O2/c1-12-7-9-14(10-8-12)19-11-15-17-16(18-20-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyQXOWFMYRZSTHIB-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 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (CID 912623) is 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(OCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is QXOWFMYRZSTHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-7-9-14(10-8-12)19-11-15-17-16(18-20-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-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 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 912623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).