[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone

C27H18Cl2F3N3O3 — CID 67242835

IUPAC[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H18Cl2F3N3O3/c1-2-37-18-5-6-21-19(12-18)23(24(36)26-34-13-22(38-26)15-7-9-33-10-8-15)25(27(30,31)32)35(21)14-16-3-4-17(28)11-20(16)29/h3-13H,2,14H2,1H3
InChIKeyGDCVWUTWKSGMAJ-UHFFFAOYSA-N
MW560.36 g/mol
LogP7.69
Rot. Bonds7

About [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone

[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone (PubChem CID 67242835) has the molecular formula C27H18Cl2F3N3O3 and a molecular weight of 560.36 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
PubChem CID67242835
Molecular FormulaC27H18Cl2F3N3O3
Molecular Weight560.36 g/mol
Exact Mass559.07
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
SMILESCCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H18Cl2F3N3O3/c1-2-37-18-5-6-21-19(12-18)23(24(36)26-34-13-22(38-26)15-7-9-33-10-8-15)25(27(30,31)32)35(21)14-16-3-4-17(28)11-20(16)29/h3-13H,2,14H2,1H3
InChIKeyGDCVWUTWKSGMAJ-UHFFFAOYSA-N
XLogP7.69
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.36
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-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

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone (CID 67242835) is [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is GDCVWUTWKSGMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F3N3O3/c1-2-37-18-5-6-21-19(12-18)23(24(36)26-34-13-22(38-26)15-7-9-33-10-8-15)25(27(30,31)32)35(21)14-16-3-4-17(28)11-20(16)29/h3-13H,2,14H2,1H3.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 560.36 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67242835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).