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

C26H16ClF3N2O3 — CID 67242759

IUPAC[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C26H16ClF3N2O3/c27-17-8-6-15(7-9-17)14-32-20-11-10-18(33)12-19(20)22(24(32)26(28,29)30)23(34)25-31-13-21(35-25)16-4-2-1-3-5-16/h1-13,33H,14H2
InChIKeySESQIUJXOSJXBI-UHFFFAOYSA-N
MW496.87 g/mol
LogP6.95
Rot. Bonds5

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

[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (PubChem CID 67242759) has the molecular formula C26H16ClF3N2O3 and a molecular weight of 496.87 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
PubChem CID67242759
Molecular FormulaC26H16ClF3N2O3
Molecular Weight496.87 g/mol
Exact Mass496.08
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C26H16ClF3N2O3/c27-17-8-6-15(7-9-17)14-32-20-11-10-18(33)12-19(20)22(24(32)26(28,29)30)23(34)25-31-13-21(35-25)16-4-2-1-3-5-16/h1-13,33H,14H2
InChIKeySESQIUJXOSJXBI-UHFFFAOYSA-N
XLogP6.95
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (CID 67242759) is [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The InChIKey is SESQIUJXOSJXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClF3N2O3/c27-17-8-6-15(7-9-17)14-32-20-11-10-18(33)12-19(20)22(24(32)26(28,29)30)23(34)25-31-13-21(35-25)16-4-2-1-3-5-16/h1-13,33H,14H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone has a molecular weight of 496.87 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 67242759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).