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

C16H14N2O2 — CID 705847

IUPAC5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H14N2O2/c1-12-7-5-6-10-14(12)19-11-15-17-16(18-20-15)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyTXLKCBKTDQGTRD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.62
Rot. Bonds4

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

5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 705847) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID705847
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H14N2O2/c1-12-7-5-6-10-14(12)19-11-15-17-16(18-20-15)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyTXLKCBKTDQGTRD-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-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (CID 705847) is 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccccc1OCc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is TXLKCBKTDQGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-7-5-6-10-14(12)19-11-15-17-16(18-20-15)13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 5-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(2-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-[(2-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 705847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).