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

C26H15Cl2F3N2O2 — CID 67241699

IUPAC[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C26H15Cl2F3N2O2/c27-17-11-10-16(19(28)12-17)14-33-20-9-5-4-8-18(20)22(24(33)26(29,30)31)23(34)21-13-32-25(35-21)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyRZSPIPYUUJILJV-UHFFFAOYSA-N
MW515.32 g/mol
LogP7.90
Rot. Bonds5

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

[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 67241699) has the molecular formula C26H15Cl2F3N2O2 and a molecular weight of 515.32 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID67241699
Molecular FormulaC26H15Cl2F3N2O2
Molecular Weight515.32 g/mol
Exact Mass514.05
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C26H15Cl2F3N2O2/c27-17-11-10-16(19(28)12-17)14-33-20-9-5-4-8-18(20)22(24(33)26(29,30)31)23(34)21-13-32-25(35-21)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyRZSPIPYUUJILJV-UHFFFAOYSA-N
XLogP7.90
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.32
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone (CID 67241699) is [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is O=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is RZSPIPYUUJILJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl2F3N2O2/c27-17-11-10-16(19(28)12-17)14-33-20-9-5-4-8-18(20)22(24(33)26(29,30)31)23(34)21-13-32-25(35-21)15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 515.32 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 67241699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).