N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C14H19N5O2 — CID 103375343

IUPACN-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccc(OC)nn2)no1
InChIInChI=1S/C14H19N5O2/c1-3-15-10-6-4-5-9(10)14-16-13(19-21-14)11-7-8-12(20-2)18-17-11/h7-10,15H,3-6H2,1-2H3
InChIKeyNXQMKOZKQXDXCM-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.78
Rot. Bonds5

About N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 103375343) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID103375343
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccc(OC)nn2)no1
InChIInChI=1S/C14H19N5O2/c1-3-15-10-6-4-5-9(10)14-16-13(19-21-14)11-7-8-12(20-2)18-17-11/h7-10,15H,3-6H2,1-2H3
InChIKeyNXQMKOZKQXDXCM-UHFFFAOYSA-N
XLogP1.78
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103372772
N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 55201646
N-ethyl-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63553864
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
N-ethyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 136990369
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63352575
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 107282911
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 82788071
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 103375343) is N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CCNC1CCCC1c1nc(-c2ccc(OC)nn2)no1.
What is the InChIKey of N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is NXQMKOZKQXDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-15-10-6-4-5-9(10)14-16-13(19-21-14)11-7-8-12(20-2)18-17-11/h7-10,15H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 103375343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).