[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone

C24H15Cl2N3O2 — CID 67245253

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H15Cl2N3O2/c25-16-10-8-15(9-11-16)14-29-19-7-2-1-5-17(19)21(23(29)26)22(30)20-13-28-24(31-20)18-6-3-4-12-27-18/h1-13H,14H2
InChIKeyPKQXNWIKBMQUEG-UHFFFAOYSA-N
MW448.31 g/mol
LogP6.28
Rot. Bonds5

About [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone

[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 67245253) has the molecular formula C24H15Cl2N3O2 and a molecular weight of 448.31 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID67245253
Molecular FormulaC24H15Cl2N3O2
Molecular Weight448.31 g/mol
Exact Mass447.05
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H15Cl2N3O2/c25-16-10-8-15(9-11-16)14-29-19-7-2-1-5-17(19)21(23(29)26)22(30)20-13-28-24(31-20)18-6-3-4-12-27-18/h1-13H,14H2
InChIKeyPKQXNWIKBMQUEG-UHFFFAOYSA-N
XLogP6.28
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone 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

[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 67243629
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67247506
[2-chloro-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67245185
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67242507
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243557
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67244337
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67243175
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243848
[1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 91161999
[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67243630
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 91406041
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
CID 67247241

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone (CID 67245253) is [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone is O=C(c1cnc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is PKQXNWIKBMQUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O2/c25-16-10-8-15(9-11-16)14-29-19-7-2-1-5-17(19)21(23(29)26)22(30)20-13-28-24(31-20)18-6-3-4-12-27-18/h1-13H,14H2.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 448.31 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67245253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).