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

C27H20Cl2N2O3 — CID 67244337

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C27H20Cl2N2O3/c1-2-33-20-12-13-22-21(14-20)24(26(29)31(22)16-17-8-10-19(28)11-9-17)25(32)23-15-30-27(34-23)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
InChIKeyOMBJFIIYXPOIKK-UHFFFAOYSA-N
MW491.37 g/mol
LogP7.28
Rot. Bonds7

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

[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 67244337) has the molecular formula C27H20Cl2N2O3 and a molecular weight of 491.37 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID67244337
Molecular FormulaC27H20Cl2N2O3
Molecular Weight491.37 g/mol
Exact Mass490.09
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C27H20Cl2N2O3/c1-2-33-20-12-13-22-21(14-20)24(26(29)31(22)16-17-8-10-19(28)11-9-17)25(32)23-15-30-27(34-23)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
InChIKeyOMBJFIIYXPOIKK-UHFFFAOYSA-N
XLogP7.28
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-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
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 87661328
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67243175
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244900
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243557
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67243006
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244288
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-pyridin-3-yl-1,3-oxazol-5-yl)methanone
CID 67242807
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 67245253
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67242507

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (CID 67244337) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is OMBJFIIYXPOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O3/c1-2-33-20-12-13-22-21(14-20)24(26(29)31(22)16-17-8-10-19(28)11-9-17)25(32)23-15-30-27(34-23)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 491.37 g/mol, XLogP of 7.28, 7 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]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67244337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).