3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine

C10H19N3O — CID 58499152

IUPAC3-methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine
SMILESCC(C)C1=NN=C(O1)C(CN)C(C)C
InChIInChI=1S/C10H19N3O/c1-6(2)8(5-11)10-13-12-9(14-10)7(3)4/h6-8H,5,11H2,1-4H3
InChIKeyPCIPZNBQRXYDEG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds4

About 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine

3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine (PubChem CID 58499152) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine
PubChem CID58499152
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine
SMILESCC(C)C1=NN=C(O1)C(CN)C(C)C
InChIInChI=1S/C10H19N3O/c1-6(2)8(5-11)10-13-12-9(14-10)7(3)4/h6-8H,5,11H2,1-4H3
InChIKeyPCIPZNBQRXYDEG-UHFFFAOYSA-N
XLogP1.40
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity173

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine?
The IUPAC name of 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine (CID 58499152) is 3-methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine is CC(C)C1=NN=C(O1)C(CN)C(C)C.
What is the InChIKey of 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine?
The InChIKey is PCIPZNBQRXYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6(2)8(5-11)10-13-12-9(14-10)7(3)4/h6-8H,5,11H2,1-4H3.
What are the key properties of 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine?
3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)butan-1-amine is sourced from PubChem (CID 58499152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).