3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

C16H13ClN2O — CID 883703

IUPAC3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H13ClN2O/c1-11-4-2-3-5-14(11)16-18-15(19-20-16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3
InChIKeyREPINKCBIUASOC-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.29
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 883703) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID883703
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H13ClN2O/c1-11-4-2-3-5-14(11)16-18-15(19-20-16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3
InChIKeyREPINKCBIUASOC-UHFFFAOYSA-N
XLogP4.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 883703) is 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is REPINKCBIUASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-4-2-3-5-14(11)16-18-15(19-20-16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 284.75 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 883703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).