5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine

C20H22N4O2 — CID 42591956

IUPAC5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine
SMILESc1ccc(Cc2noc(-c3ccc(NC[C@@H]4CCCCO4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-6-15(7-3-1)12-19-23-20(26-24-19)16-9-10-18(21-13-16)22-14-17-8-4-5-11-25-17/h1-3,6-7,9-10,13,17H,4-5,8,11-12,14H2,(H,21,22)/t17-/m0/s1
InChIKeyBQDINDDPZMMQOO-KRWDZBQOSA-N
MW350.42 g/mol
LogP3.70
Rot. Bonds6

About 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine

5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine (PubChem CID 42591956) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine
PubChem CID42591956
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine
SMILESc1ccc(Cc2noc(-c3ccc(NC[C@@H]4CCCCO4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-6-15(7-3-1)12-19-23-20(26-24-19)16-9-10-18(21-13-16)22-14-17-8-4-5-11-25-17/h1-3,6-7,9-10,13,17H,4-5,8,11-12,14H2,(H,21,22)/t17-/m0/s1
InChIKeyBQDINDDPZMMQOO-KRWDZBQOSA-N
XLogP3.70
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45196290
N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25385689
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiolan-3-yl)pyridin-2-amine
CID 45230227
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 28809507
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 45231546

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine (CID 42591956) is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine is c1ccc(Cc2noc(-c3ccc(NC[C@@H]4CCCCO4)nc3)n2)cc1.
What is the InChIKey of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine?
The InChIKey is BQDINDDPZMMQOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-6-15(7-3-1)12-19-23-20(26-24-19)16-9-10-18(21-13-16)22-14-17-8-4-5-11-25-17/h1-3,6-7,9-10,13,17H,4-5,8,11-12,14H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine?
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine has a molecular weight of 350.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 42591956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).