N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

C12H21N3O — CID 63349207

IUPACN-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(C2CCCC2)no1
InChIInChI=1S/C12H21N3O/c1-3-8-13-9(2)12-14-11(15-16-12)10-6-4-5-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyFYHMWJRHTZXPEW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.79
Rot. Bonds5

About N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 63349207) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID63349207
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(C2CCCC2)no1
InChIInChI=1S/C12H21N3O/c1-3-8-13-9(2)12-14-11(15-16-12)10-6-4-5-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyFYHMWJRHTZXPEW-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65402819
N-[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113289901
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 126785147
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389298
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65140152
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350270
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 63349207) is N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1nc(C2CCCC2)no1.
What is the InChIKey of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is FYHMWJRHTZXPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-8-13-9(2)12-14-11(15-16-12)10-6-4-5-7-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63349207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).