2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole

C17H16N2O — CID 833651

IUPAC2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CCc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-10-15(11-8-13)17-19-18-16(20-17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
InChIKeyXBCFDPAVIQUNFQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole

2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole (PubChem CID 833651) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole
PubChem CID833651
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CCc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-10-15(11-8-13)17-19-18-16(20-17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
InChIKeyXBCFDPAVIQUNFQ-UHFFFAOYSA-N
XLogP3.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole (CID 833651) is 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CCc3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
The InChIKey is XBCFDPAVIQUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-7-10-15(11-8-13)17-19-18-16(20-17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 833651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).