2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole

C10H18N2O — CID 139483718

IUPAC2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C10H18N2O/c1-5-6-8-11-12-9(13-8)7-10(2,3)4/h5-7H2,1-4H3
InChIKeyMEJQUWXYVKNOSM-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.61
Rot. Bonds3

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

2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 139483718) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole
PubChem CID139483718
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C10H18N2O/c1-5-6-8-11-12-9(13-8)7-10(2,3)4/h5-7H2,1-4H3
InChIKeyMEJQUWXYVKNOSM-UHFFFAOYSA-N
XLogP2.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.61
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-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole (CID 139483718) is 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(CC(C)(C)C)o1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is MEJQUWXYVKNOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-8-11-12-9(13-8)7-10(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole?
2-(2,2-dimethylpropyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 182.27 g/mol, XLogP of 2.61, 3 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-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 139483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).