3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole

C16H22N2O — CID 155136638

IUPAC3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1cccc(-c2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C16H22N2O/c1-11(2)9-12-7-6-8-13(10-12)14-17-15(18-19-14)16(3,4)5/h6-8,10-11H,9H2,1-5H3
InChIKeyDPWPORVAODRXLM-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.23
Rot. Bonds3

About 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole

3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole (PubChem CID 155136638) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
PubChem CID155136638
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1cccc(-c2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C16H22N2O/c1-11(2)9-12-7-6-8-13(10-12)14-17-15(18-19-14)16(3,4)5/h6-8,10-11H,9H2,1-5H3
InChIKeyDPWPORVAODRXLM-UHFFFAOYSA-N
XLogP4.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-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

3-tert-butyl-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 143176683
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]propane-2-thiol
CID 143910223
[3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116740949
3-tert-butyl-5-(2-chloro-4-pyridinyl)-1,2,4-oxadiazole
CID 53353034
2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63892975
N-ethyl-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 116546191
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637351
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637323
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 113233905
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole (CID 155136638) is 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole is CC(C)Cc1cccc(-c2nc(C(C)(C)C)no2)c1.
What is the InChIKey of 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is DPWPORVAODRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-12-7-6-8-13(10-12)14-17-15(18-19-14)16(3,4)5/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 258.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[3-(2-methylpropyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155136638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).