2-propan-2-yl-5-propyl-1,3,4-oxadiazole

C8H14N2O — CID 15130213

IUPAC2-propan-2-yl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C(C)C)o1
InChIInChI=1S/C8H14N2O/c1-4-5-7-9-10-8(11-7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyAHFUIKLSBDOXDK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.15
Rot. Bonds3

About 2-propan-2-yl-5-propyl-1,3,4-oxadiazole

2-propan-2-yl-5-propyl-1,3,4-oxadiazole (PubChem CID 15130213) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-propan-2-yl-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-propyl-1,3,4-oxadiazole
PubChem CID15130213
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-propan-2-yl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C(C)C)o1
InChIInChI=1S/C8H14N2O/c1-4-5-7-9-10-8(11-7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyAHFUIKLSBDOXDK-UHFFFAOYSA-N
XLogP2.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-propyl-1,3,4-oxadiazole
CID 15130211
2-Methyl-5-propan-2-yl-1,3,4-oxadiazole
CID 15307806
2-Butyl-5-methyl-1,3,4-oxadiazole
CID 15307807
2-Ethyl-5-methyl-1,3,4-oxadiazole
CID 20253093
2-(2-Methylpropyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 89594207
2-(Fluoromethyl)-5-propyl-1,3,4-oxadiazole
CID 91806758
2-(1-Fluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 121357123
2-(1-Fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 121357124
2-(1-Fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole
CID 121358174
2-(2,2-Dimethylpropyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 124180196
2-(Difluoromethyl)-5-propyl-1,3,4-oxadiazole
CID 130634901
2-(2-Fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 130726748

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-propyl-1,3,4-oxadiazole (CID 15130213) is 2-propan-2-yl-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-propyl-1,3,4-oxadiazole is CCCc1nnc(C(C)C)o1.
What is the InChIKey of 2-propan-2-yl-5-propyl-1,3,4-oxadiazole?
The InChIKey is AHFUIKLSBDOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-7-9-10-8(11-7)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propyl-1,3,4-oxadiazole?
2-propan-2-yl-5-propyl-1,3,4-oxadiazole has a molecular weight of 154.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 15130213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).