2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole

C17H16N2O — CID 101481286

IUPAC2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H16N2O/c1-13-18-19-17(20-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyJRWHPECAXOBZRA-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.75
Rot. Bonds4

About 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole

2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 101481286) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID101481286
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H16N2O/c1-13-18-19-17(20-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyJRWHPECAXOBZRA-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 78766183
(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol
CID 97009400
2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97320765
3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
CID 111111050
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 25460689
2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
CID 68949565
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 25451977
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
CID 107914715
(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
CID 124616909
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175359378

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole (CID 101481286) is 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(CC(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is JRWHPECAXOBZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-18-19-17(20-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3.
What are the key properties of 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole?
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 101481286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).