1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C16H21ClN4O5 — CID 120853176

IUPAC1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCOc1cc(-c2nc(C3(N)CCCC3)no2)c([N+](=O)[O-])cc1OC.Cl
InChIInChI=1S/C16H20N4O5.ClH/c1-3-24-13-8-10(11(20(21)22)9-12(13)23-2)14-18-15(19-25-14)16(17)6-4-5-7-16;/h8-9H,3-7,17H2,1-2H3;1H
InChIKeyAXBSUOOQNVBMLP-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.20
Rot. Bonds6

About 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853176) has the molecular formula C16H21ClN4O5 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853176
Molecular FormulaC16H21ClN4O5
Molecular Weight384.82 g/mol
Exact Mass384.12
IUPAC Name1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCOc1cc(-c2nc(C3(N)CCCC3)no2)c([N+](=O)[O-])cc1OC.Cl
InChIInChI=1S/C16H20N4O5.ClH/c1-3-24-13-8-10(11(20(21)22)9-12(13)23-2)14-18-15(19-25-14)16(17)6-4-5-7-16;/h8-9H,3-7,17H2,1-2H3;1H
InChIKeyAXBSUOOQNVBMLP-UHFFFAOYSA-N
XLogP3.20
TPSA126.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;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

1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029
2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methyl-6-nitroaniline
CID 120855620
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350
2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluoro-6-nitroaniline;hydrochloride
CID 120851921
1-[5-(4-bromo-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864731
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120854564
1-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861719
1-[5-(5-methyl-4-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855214
1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856611
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853176) is 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCOc1cc(-c2nc(C3(N)CCCC3)no2)c([N+](=O)[O-])cc1OC.Cl.
What is the InChIKey of 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is AXBSUOOQNVBMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5.ClH/c1-3-24-13-8-10(11(20(21)22)9-12(13)23-2)14-18-15(19-25-14)16(17)6-4-5-7-16;/h8-9H,3-7,17H2,1-2H3;1H.
What are the key properties of 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 384.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethoxy-4-methoxy-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).