[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone

C24H15ClF3N5O2 — CID 67244722

IUPAC[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H15ClF3N5O2/c1-13-2-7-18-16(10-13)19(20(34)23-32-31-22(35-23)17-8-9-29-12-30-17)21(24(26,27)28)33(18)11-14-3-5-15(25)6-4-14/h2-10,12H,11H2,1H3
InChIKeyJPOUZGCTWYNDDI-UHFFFAOYSA-N
MW497.86 g/mol
LogP5.74
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 67244722) has the molecular formula C24H15ClF3N5O2 and a molecular weight of 497.86 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID67244722
Molecular FormulaC24H15ClF3N5O2
Molecular Weight497.86 g/mol
Exact Mass497.09
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H15ClF3N5O2/c1-13-2-7-18-16(10-13)19(20(34)23-32-31-22(35-23)17-8-9-29-12-30-17)21(24(26,27)28)33(18)11-14-3-5-15(25)6-4-14/h2-10,12H,11H2,1H3
InChIKeyJPOUZGCTWYNDDI-UHFFFAOYSA-N
XLogP5.74
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.86
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone (CID 67244722) is [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone is Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is JPOUZGCTWYNDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3N5O2/c1-13-2-7-18-16(10-13)19(20(34)23-32-31-22(35-23)17-8-9-29-12-30-17)21(24(26,27)28)33(18)11-14-3-5-15(25)6-4-14/h2-10,12H,11H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 497.86 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyrimidin-4-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 67244722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).