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

C19H22N4O2 — CID 133317946

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCc2cccc(COC(C)C)c2)n1
InChIInChI=1S/C19H22N4O2/c1-13(2)24-12-16-7-4-6-15(10-16)11-21-18-17(8-5-9-20-18)19-22-14(3)23-25-19/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChIKeySVHPACSELDYIPY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.98
Rot. Bonds7

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 133317946) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
PubChem CID133317946
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCc2cccc(COC(C)C)c2)n1
InChIInChI=1S/C19H22N4O2/c1-13(2)24-12-16-7-4-6-15(10-16)11-21-18-17(8-5-9-20-18)19-22-14(3)23-25-19/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChIKeySVHPACSELDYIPY-UHFFFAOYSA-N
XLogP3.98
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
3-Phenyl-5-(3-pyridyl)-1,2,4-oxadiazole
CID 1122276
3-[2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenyl]-N-(2-hydroxyethyl)propanamide
CID 44218906
3-Benzyl-5-(2-piperidin-4-yloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 89615824
(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
3-(2-Methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 666273
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-[2-(methoxymethyl)-1-piperidinyl]pyridine
CID 45186809
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-[4-(5-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}pyridin-2-YL)piperazin-1-YL]ethanol
CID 70724909
N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
CID 73296031

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine (CID 133317946) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine is Cc1noc(-c2cccnc2NCc2cccc(COC(C)C)c2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is SVHPACSELDYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)24-12-16-7-4-6-15(10-16)11-21-18-17(8-5-9-20-18)19-22-14(3)23-25-19/h4-10,13H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 338.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 133317946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).