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

C13H18N4O — CID 63839477

IUPAC2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccnc(-c2noc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C13H18N4O/c1-9-5-6-14-10(7-9)12-16-11(18-17-12)8-15-13(2,3)4/h5-7,15H,8H2,1-4H3
InChIKeyWDBMAWADXCLDKS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds3

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

2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (PubChem CID 63839477) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
PubChem CID63839477
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccnc(-c2noc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C13H18N4O/c1-9-5-6-14-10(7-9)12-16-11(18-17-12)8-15-13(2,3)4/h5-7,15H,8H2,1-4H3
InChIKeyWDBMAWADXCLDKS-UHFFFAOYSA-N
XLogP2.33
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-(2-{1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)pyridine
CID 16189946
5-Propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 662473
(R)-3-(1-(3-fluoro-5-(3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)pyridin-2-yl)ethyl)-1-hydroxy-1-methylurea
CID 46230836
3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
CID 2761146
5-Methyl-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 268849
N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 1512155
N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 1512156
(4-Fluorobenzyl)methyl[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 16187786
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-pyridinylmethyl)methanamine
CID 16188995
1-(5-ethylpyridin-2-yl)-N-methyl-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)methanamine
CID 16190039
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16190212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (CID 63839477) is 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is Cc1ccnc(-c2noc(CNC(C)(C)C)n2)c1.
What is the InChIKey of 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The InChIKey is WDBMAWADXCLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-6-14-10(7-9)12-16-11(18-17-12)8-15-13(2,3)4/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63839477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).