17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine

C26H26ClN3O — CID 91308929

IUPAC17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
SMILESCN1OC2(CCc3ccccc3CCCc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C26H26ClN3O/c1-30-25(28)29-26(31-30)15-14-19-7-3-2-6-18(19)8-4-9-20-12-13-22(17-24(20)26)21-10-5-11-23(27)16-21/h2-3,5-7,10-13,16-17H,4,8-9,14-15H2,1H3,(H2,28,29)
InChIKeyFKIKHFPBJKKSNN-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.47
Rot. Bonds1

About 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine

17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine (PubChem CID 91308929) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine.

Molecular Properties

Compound Name17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
PubChem CID91308929
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
SMILESCN1OC2(CCc3ccccc3CCCc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C26H26ClN3O/c1-30-25(28)29-26(31-30)15-14-19-7-3-2-6-18(19)8-4-9-20-12-13-22(17-24(20)26)21-10-5-11-23(27)16-21/h2-3,5-7,10-13,16-17H,4,8-9,14-15H2,1H3,(H2,28,29)
InChIKeyFKIKHFPBJKKSNN-UHFFFAOYSA-N
XLogP5.47
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine 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

CID 46927170
CID 46927170
CID 58197101
CID 58197101
CID 58197994
CID 58197994
CID 58198251
CID 58198251
5-[3-(3-Chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 59262538
CID 88216989
CID 88216989
2-Methyl-17'-[3-(trifluoromethyl)phenyl]spiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
CID 91068557
17'-(3-Chloro-4-fluorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
CID 91439785
3-(3-chlorophenyl)-5,5-bis(4-methylphenyl)-2H-1,2,4-oxadiazole
CID 101231199
5-[3-(3-Chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 57911547
CID 58197685
CID 58197685
5-[3-(3,5-Dichlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 59262437

Frequently Asked Questions

What is the IUPAC name of 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine?
The IUPAC name of 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine (CID 91308929) is 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine.
What is the SMILES notation for 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine?
The canonical SMILES for 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine is CN1OC2(CCc3ccccc3CCCc3ccc(-c4cccc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine?
The InChIKey is FKIKHFPBJKKSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-30-25(28)29-26(31-30)15-14-19-7-3-2-6-18(19)8-4-9-20-12-13-22(17-24(20)26)21-10-5-11-23(27)16-21/h2-3,5-7,10-13,16-17H,4,8-9,14-15H2,1H3,(H2,28,29).
What are the key properties of 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine?
17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine has a molecular weight of 431.97 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-(3-chlorophenyl)-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine is sourced from PubChem (CID 91308929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).