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

C20H15F3N4O2 — CID 18569282

IUPAC2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H15F3N4O2/c1-12-25-26-19(29-12)17-9-13-5-2-3-8-16(13)27(17)11-18(28)24-15-7-4-6-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,28)
InChIKeyYVDXWPUAIVUWKU-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-[3-(trifluoromethyl)phenyl]acetamide

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18569282) 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-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID18569282
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-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H15F3N4O2/c1-12-25-26-19(29-12)17-9-13-5-2-3-8-16(13)27(17)11-18(28)24-15-7-4-6-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,28)
InChIKeyYVDXWPUAIVUWKU-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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Related Compounds

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CID 50937454
(S)-2-amino-N-(3-(5-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574241
CID 127031964
CID 127031964
(S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574239
[(2S)-1-[[3-[5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-1-oxopropan-2-yl]azanium
CID 72199610
[5-(1-Methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 164619662
N-hydroxy-5-[5-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]pentanamide
CID 168271513
N-hydroxy-5-[5-[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]-1,3,4-oxadiazol-2-yl]pentanamide
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US11420958, Ex. No. 223
CID 154640076
2-(2-(5-(4-chlorophenethyl)-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
CID 136043783
N-(2-aminophenyl)-4-[5-[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
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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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 18569282) is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YVDXWPUAIVUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-25-26-19(29-12)17-9-13-5-2-3-8-16(13)27(17)11-18(28)24-15-7-4-6-14(10-15)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-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[3-(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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18569282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).