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

C15H22N4O — CID 63352276

IUPACN-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCCNC(CC)Cc1nc(Cc2cccnc2)no1
InChIInChI=1S/C15H22N4O/c1-3-7-17-13(4-2)10-15-18-14(19-20-15)9-12-6-5-8-16-11-12/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyPAFCXHZRGGWJIE-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.38
Rot. Bonds8

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

N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63352276) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63352276
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCCNC(CC)Cc1nc(Cc2cccnc2)no1
InChIInChI=1S/C15H22N4O/c1-3-7-17-13(4-2)10-15-18-14(19-20-15)9-12-6-5-8-16-11-12/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyPAFCXHZRGGWJIE-UHFFFAOYSA-N
XLogP2.38
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63352401
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-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344251
5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 62551885
N-ethyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62853169
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350334
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62552583
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-propyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348226
2-[[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740840

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63352276) is N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCCNC(CC)Cc1nc(Cc2cccnc2)no1.
What is the InChIKey of N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is PAFCXHZRGGWJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-7-17-13(4-2)10-15-18-14(19-20-15)9-12-6-5-8-16-11-12/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63352276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).