3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride

C21H23Cl2N5O2 — CID 126776984

IUPAC3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1cccc(-c2noc(C3CC34CCN(Cc3nc(C5CC5)no3)CC4)n2)c1
InChIInChI=1S/C21H22ClN5O2.ClH/c22-15-3-1-2-14(10-15)19-24-20(29-26-19)16-11-21(16)6-8-27(9-7-21)12-17-23-18(25-28-17)13-4-5-13;/h1-3,10,13,16H,4-9,11-12H2;1H
InChIKeyRAOIIYNFFGFIMA-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.84
Rot. Bonds5

About 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride

3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 126776984) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID126776984
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC Name3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1cccc(-c2noc(C3CC34CCN(Cc3nc(C5CC5)no3)CC4)n2)c1
InChIInChI=1S/C21H22ClN5O2.ClH/c22-15-3-1-2-14(10-15)19-24-20(29-26-19)16-11-21(16)6-8-27(9-7-21)12-17-23-18(25-28-17)13-4-5-13;/h1-3,10,13,16H,4-9,11-12H2;1H
InChIKeyRAOIIYNFFGFIMA-UHFFFAOYSA-N
XLogP4.84
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 126776984) is 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride is Cl.Clc1cccc(-c2noc(C3CC34CCN(Cc3nc(C5CC5)no3)CC4)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is RAOIIYNFFGFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2.ClH/c22-15-3-1-2-14(10-15)19-24-20(29-26-19)16-11-21(16)6-8-27(9-7-21)12-17-23-18(25-28-17)13-4-5-13;/h1-3,10,13,16H,4-9,11-12H2;1H.
What are the key properties of 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?
3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 448.35 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 126776984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).