4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole

C16H16N2O — CID 22303122

IUPAC4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole
SMILESCN1C(c2ccccc2)=NOC1(C)c1ccccc1
InChIInChI=1S/C16H16N2O/c1-16(14-11-7-4-8-12-14)18(2)15(17-19-16)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyTXEAQKHSZUDTDA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.18
Rot. Bonds2

About 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole

4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole (PubChem CID 22303122) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole
PubChem CID22303122
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole
SMILESCN1C(c2ccccc2)=NOC1(C)c1ccccc1
InChIInChI=1S/C16H16N2O/c1-16(14-11-7-4-8-12-14)18(2)15(17-19-16)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyTXEAQKHSZUDTDA-UHFFFAOYSA-N
XLogP3.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.18
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
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
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)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine
CID 174888085
2-tert-butyl-3-(2,6-difluorophenyl)-5-phenyl-3H-1,2,4-oxadiazole
CID 174942506
4-Hydroxy-2-dimethylamino-4,5-diphenyl-4h-imidazole
CID 12485905

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
The IUPAC name of 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole (CID 22303122) is 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole.
What is the SMILES notation for 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
The canonical SMILES for 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole is CN1C(c2ccccc2)=NOC1(C)c1ccccc1.
What is the InChIKey of 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
The InChIKey is TXEAQKHSZUDTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(14-11-7-4-8-12-14)18(2)15(17-19-16)13-9-5-3-6-10-13/h3-12H,1-2H3.
What are the key properties of 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole has a molecular weight of 252.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole is sourced from PubChem (CID 22303122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).