2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine

C10H19N3O — CID 79404772

IUPAC2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine
SMILESCCCCc1noc(C(C)(C)NC)n1
InChIInChI=1S/C10H19N3O/c1-5-6-7-8-12-9(14-13-8)10(2,3)11-4/h11H,5-7H2,1-4H3
InChIKeyPVUTZYZJRCPOLZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.87
Rot. Bonds5

About 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine

2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine (PubChem CID 79404772) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine
PubChem CID79404772
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine
SMILESCCCCc1noc(C(C)(C)NC)n1
InChIInChI=1S/C10H19N3O/c1-5-6-7-8-12-9(14-13-8)10(2,3)11-4/h11H,5-7H2,1-4H3
InChIKeyPVUTZYZJRCPOLZ-UHFFFAOYSA-N
XLogP1.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine (CID 79404772) is 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine is CCCCc1noc(C(C)(C)NC)n1.
What is the InChIKey of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine?
The InChIKey is PVUTZYZJRCPOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-6-7-8-12-9(14-13-8)10(2,3)11-4/h11H,5-7H2,1-4H3.
What are the key properties of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine?
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 79404772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).