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

C22H26ClN5O2 — CID 95331224

IUPAC3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)n1
InChIInChI=1S/C22H26ClN5O2/c1-14(2)10-18-24-19(29-26-18)13-28-8-6-22(7-9-28)12-17(22)21-25-20(27-30-21)15-4-3-5-16(23)11-15/h3-5,11,14,17H,6-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyRRMFOIYVMHAEHE-QGZVFWFLSA-N
MW427.94 g/mol
LogP4.74
Rot. Bonds6

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

3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole (PubChem CID 95331224) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
PubChem CID95331224
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)n1
InChIInChI=1S/C22H26ClN5O2/c1-14(2)10-18-24-19(29-26-18)13-28-8-6-22(7-9-28)12-17(22)21-25-20(27-30-21)15-4-3-5-16(23)11-15/h3-5,11,14,17H,6-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyRRMFOIYVMHAEHE-QGZVFWFLSA-N
XLogP4.74
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole 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-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 56804565
3-butyl-5-[[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,2,4-oxadiazole
CID 95312319
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
3-(3-chlorophenyl)-5-[(2R)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 95311347
3-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide;hydrochloride
CID 86771426
2-[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octan-6-yl]-1,3-benzoxazole
CID 95315437
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
3-(3-chlorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 126786540
3-(3-chlorophenyl)-5-[(2S)-6-(3-fluorophenyl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 95311418
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 38155674
3-(3-methylphenyl)-5-[[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-6-azaspiro[2.5]octan-6-yl]methyl]-1,2,4-oxadiazole
CID 95618315

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole (CID 95331224) is 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole is CC(C)Cc1noc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
The InChIKey is RRMFOIYVMHAEHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-14(2)10-18-24-19(29-26-18)13-28-8-6-22(7-9-28)12-17(22)21-25-20(27-30-21)15-4-3-5-16(23)11-15/h3-5,11,14,17H,6-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole has a molecular weight of 427.94 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[(2S)-6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95331224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).