2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine

C13H18N4O — CID 55043837

IUPAC2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H18N4O/c1-13(2,3)15-9-7-11-16-17-12(18-11)10-6-4-5-8-14-10/h4-6,8,15H,7,9H2,1-3H3
InChIKeyIMPBLWQKTNFNEU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine

2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine (PubChem CID 55043837) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
PubChem CID55043837
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H18N4O/c1-13(2,3)15-9-7-11-16-17-12(18-11)10-6-4-5-8-14-10/h4-6,8,15H,7,9H2,1-3H3
InChIKeyIMPBLWQKTNFNEU-UHFFFAOYSA-N
XLogP2.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine (CID 55043837) is 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine is CC(C)(C)NCCc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is IMPBLWQKTNFNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)15-9-7-11-16-17-12(18-11)10-6-4-5-8-14-10/h4-6,8,15H,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 55043837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).