1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C15H22N4O2 — CID 63352401

IUPAC1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCCNC(COC)Cc1nc(Cc2cccnc2)no1
InChIInChI=1S/C15H22N4O2/c1-3-6-17-13(11-20-2)9-15-18-14(19-21-15)8-12-5-4-7-16-10-12/h4-5,7,10,13,17H,3,6,8-9,11H2,1-2H3
InChIKeyWSNRLGOOKKHVAR-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.61
Rot. Bonds9

About 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63352401) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63352401
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCCNC(COC)Cc1nc(Cc2cccnc2)no1
InChIInChI=1S/C15H22N4O2/c1-3-6-17-13(11-20-2)9-15-18-14(19-21-15)8-12-5-4-7-16-10-12/h4-5,7,10,13,17H,3,6,8-9,11H2,1-2H3
InChIKeyWSNRLGOOKKHVAR-UHFFFAOYSA-N
XLogP1.61
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

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Related Compounds

N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352276
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
N-ethyl-1-methoxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63351993
N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 55202602
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 103445464
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350491
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344252
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63352621
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63350551
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63352401) is 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCCNC(COC)Cc1nc(Cc2cccnc2)no1.
What is the InChIKey of 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is WSNRLGOOKKHVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-6-17-13(11-20-2)9-15-18-14(19-21-15)8-12-5-4-7-16-10-12/h4-5,7,10,13,17H,3,6,8-9,11H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63352401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).