4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole

C15H14N2O — CID 12954952

IUPAC4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
SMILESCN1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C15H14N2O/c1-17-14(12-8-4-2-5-9-12)16-18-15(17)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyOUXGCQXWVJDDAL-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.01
Rot. Bonds2

About 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole

4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole (PubChem CID 12954952) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
PubChem CID12954952
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
SMILESCN1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C15H14N2O/c1-17-14(12-8-4-2-5-9-12)16-18-15(17)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyOUXGCQXWVJDDAL-UHFFFAOYSA-N
XLogP3.01
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
4-(1-Adamantyl)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 378744
4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 378749
5-phenyl-4-(trifluoromethyl)-5H-1,2,4-oxadiazole
CID 91355495
4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
CID 15257620
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
CID 15257621
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
6-(4-Fluorophenyl)-4-methyl-3-phenyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 592212
3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]azepine
CID 70230616
5-Benzyl-4-butyl-3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 89515446
5-Benzyl-3-(2-fluorophenyl)-5-methyl-4-(2-methylpropyl)-1,2,4-oxadiazole
CID 89515672
3-(4-Fluorophenyl)-3,5,6,7-tetrahydro-[1,2,4]oxadiazolo[4,3-a]azepine
CID 91402477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole (CID 12954952) is 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole is CN1C(c2ccccc2)=NOC1c1ccccc1.
What is the InChIKey of 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The InChIKey is OUXGCQXWVJDDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-14(12-8-4-2-5-9-12)16-18-15(17)13-10-6-3-7-11-13/h2-11,15H,1H3.
What are the key properties of 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole has a molecular weight of 238.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 12954952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).