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

C14H18N4O — CID 55201646

IUPACN-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H18N4O/c1-2-15-11-8-5-6-10(11)14-17-13(18-19-14)12-7-3-4-9-16-12/h3-4,7,9-11,15H,2,5-6,8H2,1H3
InChIKeyXNWXNOJIMXZXGS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds4

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

N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine (PubChem CID 55201646) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
PubChem CID55201646
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H18N4O/c1-2-15-11-8-5-6-10(11)14-17-13(18-19-14)12-7-3-4-9-16-12/h3-4,7,9-11,15H,2,5-6,8H2,1H3
InChIKeyXNWXNOJIMXZXGS-UHFFFAOYSA-N
XLogP2.38
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63553864
N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63348137
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103375343
N-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474289
N-ethyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 136990369
N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63352575
5-(2-methylpyrrolidin-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 79371542
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 82788071
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 107282911
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 66425697
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine (CID 55201646) is N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine is CCNC1CCCC1c1nc(-c2ccccn2)no1.
What is the InChIKey of N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The InChIKey is XNWXNOJIMXZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-11-8-5-6-10(11)14-17-13(18-19-14)12-7-3-4-9-16-12/h3-4,7,9-11,15H,2,5-6,8H2,1H3.
What are the key properties of N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.38, 4 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-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine is sourced from PubChem (CID 55201646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).