4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole

C13H18N2O — CID 15257621

IUPAC4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
SMILESCC1=NOC(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C13H18N2O/c1-10-14-16-12(15(10)13(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1-4H3
InChIKeyHIPUONJZDWHYDZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.15
Rot. Bonds1

About 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole

4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole (PubChem CID 15257621) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
PubChem CID15257621
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
SMILESCC1=NOC(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C13H18N2O/c1-10-14-16-12(15(10)13(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1-4H3
InChIKeyHIPUONJZDWHYDZ-UHFFFAOYSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
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-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
3-(Diethoxyphosphorylmethyl)-5-(4-fluorophenyl)-5-methyl-4-pent-4-enyl-1,2,4-oxadiazole
CID 88486908
3-(4-Fluorophenyl)-3,5,6,7-tetrahydro-[1,2,4]oxadiazolo[4,3-a]azepine
CID 91402477
3-methyl-4,5-diphenyl-5H-1,2,4-oxadiazole
CID 12255533
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
4-tert-butyl-5-methyl-3-phenyl-5H-1,2,4-oxadiazole
CID 10751320
2,3,3,5-Tetramethyl-6-phenyl-1,2,5-oxadiazinane
CID 21669073

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole (CID 15257621) is 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole is CC1=NOC(c2ccccc2)N1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is HIPUONJZDWHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-14-16-12(15(10)13(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole?
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 218.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 15257621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).