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

C26H18Cl3N3O3 — CID 67242735

IUPAC[2-chloro-1-[(2,4-dichlorophenyl)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)cc1Cl
InChIInChI=1S/C26H18Cl3N3O3/c1-2-34-17-8-9-21-18(12-17)23(25(29)32(21)14-15-6-7-16(27)11-19(15)28)24(33)26-31-13-22(35-26)20-5-3-4-10-30-20/h3-13H,2,14H2,1H3
InChIKeySHCHTTFTIHXOMI-UHFFFAOYSA-N
MW526.81 g/mol
LogP7.33
Rot. Bonds7

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

[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 67242735) has the molecular formula C26H18Cl3N3O3 and a molecular weight of 526.81 g/mol. Its IUPAC name is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
PubChem CID67242735
Molecular FormulaC26H18Cl3N3O3
Molecular Weight526.81 g/mol
Exact Mass525.04
IUPAC Name[2-chloro-1-[(2,4-dichlorophenyl)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)cc1Cl
InChIInChI=1S/C26H18Cl3N3O3/c1-2-34-17-8-9-21-18(12-17)23(25(29)32(21)14-15-6-7-16(27)11-19(15)28)24(33)26-31-13-22(35-26)20-5-3-4-10-30-20/h3-13H,2,14H2,1H3
InChIKeySHCHTTFTIHXOMI-UHFFFAOYSA-N
XLogP7.33
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 67242735) is [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [2-chloro-1-[(2,4-dichlorophenyl)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)cc1Cl.
What is the InChIKey of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is SHCHTTFTIHXOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl3N3O3/c1-2-34-17-8-9-21-18(12-17)23(25(29)32(21)14-15-6-7-16(27)11-19(15)28)24(33)26-31-13-22(35-26)20-5-3-4-10-30-20/h3-13H,2,14H2,1H3.
What are the key properties of [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 526.81 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67242735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).