2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole

C11H20N2O — CID 89381364

IUPAC2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C(C)(C)C(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-7-8-12-13-9(14-8)11(5,6)10(2,3)4/h7H2,1-6H3
InChIKeyHDZNIBXMKBXVTM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.96
Rot. Bonds2

About 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole

2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole (PubChem CID 89381364) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole
PubChem CID89381364
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C(C)(C)C(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-7-8-12-13-9(14-8)11(5,6)10(2,3)4/h7H2,1-6H3
InChIKeyHDZNIBXMKBXVTM-UHFFFAOYSA-N
XLogP2.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-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

2-Methyl-5-propyl-1,3,4-oxadiazole
CID 15130211
2-(2,2-Dimethylpropyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 124180196
2-(1-Fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 170396208
2-Isopropyl-5-propyl-1,3,4-oxadiazole
CID 15130213
2-(Difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
CID 130709563
2,5-Dipropyl-1,3,4-oxadiazole
CID 15130212
2,5-Ditert-butyl-1,3,4-oxadiazole
CID 3756038
2-Butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole
CID 20605524
2-Ethyl-5-propyl-1,3,4-oxadiazole
CID 20682847
2-Methyl-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 21026316
2-Tert-butyl-5-cyclopropyl-1,3,4-oxadiazole
CID 46947509
2-Cyclopropyl-5-propyl-1,3,4-oxadiazole
CID 49959860

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole (CID 89381364) is 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole is CCc1nnc(C(C)(C)C(C)(C)C)o1.
What is the InChIKey of 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole?
The InChIKey is HDZNIBXMKBXVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7-8-12-13-9(14-8)11(5,6)10(2,3)4/h7H2,1-6H3.
What are the key properties of 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole?
2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole has a molecular weight of 196.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,3,3-trimethylbutan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 89381364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).