6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole

C24H26ClN3O — CID 13078392

IUPAC6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1[nH]c2ccccc2c1CCCN1CCC(c2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H26ClN3O/c1-16-19(20-5-2-3-7-22(20)26-16)6-4-12-28-13-10-17(11-14-28)24-21-9-8-18(25)15-23(21)29-27-24/h2-3,5,7-9,15,17,26H,4,6,10-14H2,1H3
InChIKeyWBQKSUNBGYQJIN-UHFFFAOYSA-N
MW407.95 g/mol
LogP6.08
Rot. Bonds5

About 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole

6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 13078392) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID13078392
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1[nH]c2ccccc2c1CCCN1CCC(c2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H26ClN3O/c1-16-19(20-5-2-3-7-22(20)26-16)6-4-12-28-13-10-17(11-14-28)24-21-9-8-18(25)15-23(21)29-27-24/h2-3,5,7-9,15,17,26H,4,6,10-14H2,1H3
InChIKeyWBQKSUNBGYQJIN-UHFFFAOYSA-N
XLogP6.08
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole 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-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801095
Unii-HB82hzf849
CID 9866660
(R)-3-(4-chlorophenyl)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole
CID 11640588
6-fluoro-3-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 141745660
6-Fluoro-3-[4-(5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl)butyl]-1,2-benzoxazole
CID 15646191
3-{3-[4-(1,2-Benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078389
3-{3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078390
3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazol-5-ol
CID 13078395
5-fluoro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 13078397
3-Ethyl-6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
CID 10431639
3-[3-[4-(6-Chloro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
CID 13078386
6-Fluoro-3-[3-(5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl)propyl]-1,2-benzoxazole
CID 15646187

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole (CID 13078392) is 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole is Cc1[nH]c2ccccc2c1CCCN1CCC(c2noc3cc(Cl)ccc23)CC1.
What is the InChIKey of 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is WBQKSUNBGYQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-16-19(20-5-2-3-7-22(20)26-16)6-4-12-28-13-10-17(11-14-28)24-21-9-8-18(25)15-23(21)29-27-24/h2-3,5,7-9,15,17,26H,4,6,10-14H2,1H3.
What are the key properties of 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 407.95 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 13078392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).