5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole

C12H22N2O — CID 129255475

IUPAC5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CCCC(C)(C)C)n1
InChIInChI=1S/C12H22N2O/c1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyCJHPYLMCTPGZDS-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.56
Rot. Bonds4

About 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole

5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 129255475) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID129255475
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CCCC(C)(C)C)n1
InChIInChI=1S/C12H22N2O/c1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyCJHPYLMCTPGZDS-UHFFFAOYSA-N
XLogP3.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
1,1,3,3-tetramethyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111080287
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
CID 133482477
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 129255475) is 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CCCC(C)(C)C)n1.
What is the InChIKey of 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is CJHPYLMCTPGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 210.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 129255475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).