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

C26H19Cl2N3O3 — CID 67243175

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H19Cl2N3O3/c1-2-33-18-10-11-21-19(13-18)23(25(28)31(21)15-16-6-8-17(27)9-7-16)24(32)26-30-14-22(34-26)20-5-3-4-12-29-20/h3-14H,2,15H2,1H3
InChIKeyIUTDKUZBEIIHNV-UHFFFAOYSA-N
MW492.36 g/mol
LogP6.68
Rot. Bonds7

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

[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 67243175) has the molecular formula C26H19Cl2N3O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
PubChem CID67243175
Molecular FormulaC26H19Cl2N3O3
Molecular Weight492.36 g/mol
Exact Mass491.08
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H19Cl2N3O3/c1-2-33-18-10-11-21-19(13-18)23(25(28)31(21)15-16-6-8-17(27)9-7-16)24(32)26-30-14-22(34-26)20-5-3-4-12-29-20/h3-14H,2,15H2,1H3
InChIKeyIUTDKUZBEIIHNV-UHFFFAOYSA-N
XLogP6.68
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.36
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67242735
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 67243629
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67245410
[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]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67244337
[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]-5-ethoxyindol-3-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244900
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-3-yl-1,3-oxazol-2-yl)methanone
CID 67243935
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244288
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67242507
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244333
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 67243175) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is IUTDKUZBEIIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O3/c1-2-33-18-10-11-21-19(13-18)23(25(28)31(21)15-16-6-8-17(27)9-7-16)24(32)26-30-14-22(34-26)20-5-3-4-12-29-20/h3-14H,2,15H2,1H3.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 492.36 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67243175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).