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

C19H26ClN3O3 — CID 120851873

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride
SMILESCCCOc1ccc(C(=O)CCc2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-2-13-24-15-7-5-14(6-8-15)16(23)9-10-17-21-18(22-25-17)19(20)11-3-4-12-19;/h5-8H,2-4,9-13,20H2,1H3;1H
InChIKeyZQHHDDGFKMRYAK-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.82
Rot. Bonds8

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

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride (PubChem CID 120851873) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride
PubChem CID120851873
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride
SMILESCCCOc1ccc(C(=O)CCc2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-2-13-24-15-7-5-14(6-8-15)16(23)9-10-17-21-18(22-25-17)19(20)11-3-4-12-19;/h5-8H,2-4,9-13,20H2,1H3;1H
InChIKeyZQHHDDGFKMRYAK-UHFFFAOYSA-N
XLogP3.82
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 120859363
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862580
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-phenylmethanone
CID 120860952
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 120852871
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
1-[5-[2-(3,5-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861179
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254
1-[5-[(4-ethoxyphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851174

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride (CID 120851873) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride is CCCOc1ccc(C(=O)CCc2nc(C3(N)CCCC3)no2)cc1.Cl.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is ZQHHDDGFKMRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-2-13-24-15-7-5-14(6-8-15)16(23)9-10-17-21-18(22-25-17)19(20)11-3-4-12-19;/h5-8H,2-4,9-13,20H2,1H3;1H.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 120851873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).