2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole

C18H20N2O — CID 102443019

IUPAC2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole
SMILESCc1cc(C)c(C2N=C(c3ccccc3)ON2C)c(C)c1
InChIInChI=1S/C18H20N2O/c1-12-10-13(2)16(14(3)11-12)17-19-18(21-20(17)4)15-8-6-5-7-9-15/h5-11,17H,1-4H3
InChIKeySRKWTLANWOPQJX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.93
Rot. Bonds2

About 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole

2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole (PubChem CID 102443019) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole
PubChem CID102443019
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole
SMILESCc1cc(C)c(C2N=C(c3ccccc3)ON2C)c(C)c1
InChIInChI=1S/C18H20N2O/c1-12-10-13(2)16(14(3)11-12)17-19-18(21-20(17)4)15-8-6-5-7-9-15/h5-11,17H,1-4H3
InChIKeySRKWTLANWOPQJX-UHFFFAOYSA-N
XLogP3.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-Phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-2,3-dihydro-1,2,4-oxadiazole
CID 143909936
amino 4-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenecarboximidate
CID 143910011
5-(4-Fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole
CID 146178930
2-tert-butyl-3-(2,6-difluorophenyl)-5-phenyl-3H-1,2,4-oxadiazole
CID 174942506
(3R)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole
CID 102048757
(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole
CID 135015006
amino N-[(4-methylphenyl)methyl]-4-phenyl-3-(trifluoromethyl)benzenecarboximidate
CID 143910322
3,5-Bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 5181773
(E)-1-[3-(isocyanatomethyl)-4-methylphenyl]-N-phenylmethoxyethanimine
CID 18388858
1-[3-(isocyanatomethyl)-4-methylphenyl]-N-phenylmethoxyethanimine
CID 73433321
3-[5-Tert-butyl-2-ethyl-3-(2-methylphenyl)phenyl]-5-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 89399655
N-benzyl-2,6-dimethylbenzenecarboximidate
CID 91269599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole?
The IUPAC name of 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole (CID 102443019) is 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole?
The canonical SMILES for 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole is Cc1cc(C)c(C2N=C(c3ccccc3)ON2C)c(C)c1.
What is the InChIKey of 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole?
The InChIKey is SRKWTLANWOPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-10-13(2)16(14(3)11-12)17-19-18(21-20(17)4)15-8-6-5-7-9-15/h5-11,17H,1-4H3.
What are the key properties of 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole?
2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazole is sourced from PubChem (CID 102443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).