N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine

C14H20N4O — CID 63560095

IUPACN-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C14H20N4O/c1-4-12(16-5-2)10(3)14-17-13(18-19-14)11-7-6-8-15-9-11/h6-10,12,16H,4-5H2,1-3H3
InChIKeyMESXFJQIJBVSIF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.62
Rot. Bonds6

About N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine

N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine (PubChem CID 63560095) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
PubChem CID63560095
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C14H20N4O/c1-4-12(16-5-2)10(3)14-17-13(18-19-14)11-7-6-8-15-9-11/h6-10,12,16H,4-5H2,1-3H3
InChIKeyMESXFJQIJBVSIF-UHFFFAOYSA-N
XLogP2.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 104791003
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
CID 107915847
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103375338
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560867
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560287
N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63560671
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 55202602
N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63562028
2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine (CID 63560095) is N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine is CCNC(CC)C(C)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The InChIKey is MESXFJQIJBVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-12(16-5-2)10(3)14-17-13(18-19-14)11-7-6-8-15-9-11/h6-10,12,16H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine is sourced from PubChem (CID 63560095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).