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

C20H15F3N4O2 — CID 18569283

IUPAC2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C20H15F3N4O2/c1-12-25-26-19(29-12)17-10-13-4-2-3-5-16(13)27(17)11-18(28)24-15-8-6-14(7-9-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,28)
InChIKeyHBSMUOPQEHUKJH-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.66
Rot. Bonds4

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

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 18569283) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID18569283
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C20H15F3N4O2/c1-12-25-26-19(29-12)17-10-13-4-2-3-5-16(13)27(17)11-18(28)24-15-8-6-14(7-9-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,28)
InChIKeyHBSMUOPQEHUKJH-UHFFFAOYSA-N
XLogP4.66
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 18569283) is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HBSMUOPQEHUKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-25-26-19(29-12)17-10-13-4-2-3-5-16(13)27(17)11-18(28)24-15-8-6-14(7-9-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,28).
What are the key properties of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 400.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18569283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).