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

C26H16Cl2F3N3O2 — CID 67243688

IUPAC[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H16Cl2F3N3O2/c1-14-7-10-20-18(11-14)21(22(35)25-33-32-24(36-25)15-5-3-2-4-6-15)23(26(29,30)31)34(20)13-16-8-9-17(27)12-19(16)28/h2-12H,13H2,1H3
InChIKeyHNNPSBZHXDLFLC-UHFFFAOYSA-N
MW530.33 g/mol
LogP7.60
Rot. Bonds5

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

[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 67243688) has the molecular formula C26H16Cl2F3N3O2 and a molecular weight of 530.33 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID67243688
Molecular FormulaC26H16Cl2F3N3O2
Molecular Weight530.33 g/mol
Exact Mass529.06
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H16Cl2F3N3O2/c1-14-7-10-20-18(11-14)21(22(35)25-33-32-24(36-25)15-5-3-2-4-6-15)23(26(29,30)31)34(20)13-16-8-9-17(27)12-19(16)28/h2-12H,13H2,1H3
InChIKeyHNNPSBZHXDLFLC-UHFFFAOYSA-N
XLogP7.60
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.33
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (CID 67243688) is [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is HNNPSBZHXDLFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2F3N3O2/c1-14-7-10-20-18(11-14)21(22(35)25-33-32-24(36-25)15-5-3-2-4-6-15)23(26(29,30)31)34(20)13-16-8-9-17(27)12-19(16)28/h2-12H,13H2,1H3.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 530.33 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 67243688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).