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

C10H18N2O — CID 130891651

IUPAC2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CC(C)(C)C)o1
InChIInChI=1S/C10H18N2O/c1-7(2)9-12-11-8(13-9)6-10(3,4)5/h7H,6H2,1-5H3
InChIKeyHLVGBLWCIRWQRR-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.78
Rot. Bonds2

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

2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 130891651) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID130891651
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CC(C)(C)C)o1
InChIInChI=1S/C10H18N2O/c1-7(2)9-12-11-8(13-9)6-10(3,4)5/h7H,6H2,1-5H3
InChIKeyHLVGBLWCIRWQRR-UHFFFAOYSA-N
XLogP2.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 130891651) is 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CC(C)(C)C)o1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is HLVGBLWCIRWQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)9-12-11-8(13-9)6-10(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 182.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 130891651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).