1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride

C15H25ClN4O2 — CID 120856030

IUPAC1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
SMILESCl.NC1(c2noc(CN3CCCCCCC3=O)n2)CCCC1
InChIInChI=1S/C15H24N4O2.ClH/c16-15(8-4-5-9-15)14-17-12(21-18-14)11-19-10-6-2-1-3-7-13(19)20;/h1-11,16H2;1H
InChIKeyXYENAXGKOIEHCB-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.51
Rot. Bonds3

About 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride

1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride (PubChem CID 120856030) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
PubChem CID120856030
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
SMILESCl.NC1(c2noc(CN3CCCCCCC3=O)n2)CCCC1
InChIInChI=1S/C15H24N4O2.ClH/c16-15(8-4-5-9-15)14-17-12(21-18-14)11-19-10-6-2-1-3-7-13(19)20;/h1-11,16H2;1H
InChIKeyXYENAXGKOIEHCB-UHFFFAOYSA-N
XLogP2.51
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120851157
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120862737
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
CID 28872437
1-[[3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 95212564
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120861919
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120855737
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 120864329

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride?
The IUPAC name of 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride (CID 120856030) is 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride.
What is the SMILES notation for 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride?
The canonical SMILES for 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride is Cl.NC1(c2noc(CN3CCCCCCC3=O)n2)CCCC1.
What is the InChIKey of 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride?
The InChIKey is XYENAXGKOIEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c16-15(8-4-5-9-15)14-17-12(21-18-14)11-19-10-6-2-1-3-7-13(19)20;/h1-11,16H2;1H.
What are the key properties of 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride?
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride is sourced from PubChem (CID 120856030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).