3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole

C12H20N4O2 — CID 168934014

IUPAC3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)no1.Cc1noc(C(C)C)n1
InChIInChI=1S/2C6H10N2O/c1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h2*4H,1-3H3
InChIKeyBIOUWMUXLLMQTL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.00
Rot. Bonds2

About 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole

3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 168934014) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID168934014
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)no1.Cc1noc(C(C)C)n1
InChIInChI=1S/2C6H10N2O/c1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h2*4H,1-3H3
InChIKeyBIOUWMUXLLMQTL-UHFFFAOYSA-N
XLogP3.00
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-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

3-[[5-(2-Ethoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 132377062
5-(2-Fluoropropan-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 89693000
3-(2-Fluoropropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 89693004
3,5-Dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 160887600
3-(1,1-Difluoroethyl)-5-methyl-1,2,4-oxadiazole;ethane;5-methyl-3-(oxetan-3-yl)-1,2,4-oxadiazole
CID 169128034
5-Methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
1-(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955453
3-Methyl-5-propan-2-yl-1,2,4-oxadiazole
CID 15501138
3,5-Ditert-butyl-1,2,4-oxadiazole
CID 20626703
3,5-Di(propan-2-yl)-1,2,4-oxadiazole
CID 22951087
3-Ethyl-5-propan-2-yl-1,2,4-oxadiazole
CID 23541066
3,5-Bis(2-methylpropyl)-1,2,4-oxadiazole
CID 57576964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole (CID 168934014) is 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc(C(C)C)no1.Cc1noc(C(C)C)n1.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BIOUWMUXLLMQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2O/c1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h2*4H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole?
3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 252.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 168934014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).