5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine

C17H24N4O2 — CID 45231546

IUPAC5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESCC(C)Cc1noc(-c2ccc(NCC3CCCOC3)nc2)n1
InChIInChI=1S/C17H24N4O2/c1-12(2)8-16-20-17(23-21-16)14-5-6-15(19-10-14)18-9-13-4-3-7-22-11-13/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyAQLYIGZTBTWPDE-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.17
Rot. Bonds6

About 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 45231546) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID45231546
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESCC(C)Cc1noc(-c2ccc(NCC3CCCOC3)nc2)n1
InChIInChI=1S/C17H24N4O2/c1-12(2)8-16-20-17(23-21-16)14-5-6-15(19-10-14)18-9-13-4-3-7-22-11-13/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyAQLYIGZTBTWPDE-UHFFFAOYSA-N
XLogP3.17
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine 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

methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
CID 29088634
N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71564469
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 29089294
1-[(3R)-3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 28697156
1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 45234506
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine
CID 42591956
N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25385689
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 45231546) is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine is CC(C)Cc1noc(-c2ccc(NCC3CCCOC3)nc2)n1.
What is the InChIKey of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is AQLYIGZTBTWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)8-16-20-17(23-21-16)14-5-6-15(19-10-14)18-9-13-4-3-7-22-11-13/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine?
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 45231546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).