1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide

C15H13F3N4O2 — CID 90648306

IUPAC1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C15H13F3N4O2/c1-22-8-10(9-4-2-3-5-11(9)22)13(23)19-7-6-12-20-14(24-21-12)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,19,23)
InChIKeyKCLLZEJQLGCECS-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide

1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide (PubChem CID 90648306) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
PubChem CID90648306
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C15H13F3N4O2/c1-22-8-10(9-4-2-3-5-11(9)22)13(23)19-7-6-12-20-14(24-21-12)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,19,23)
InChIKeyKCLLZEJQLGCECS-UHFFFAOYSA-N
XLogP2.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 119071610
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
2-[2-[(1-methylindole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241754
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
(1R)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430017
(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430016
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110632715
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide (CID 90648306) is 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide is Cn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide?
The InChIKey is KCLLZEJQLGCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-22-8-10(9-4-2-3-5-11(9)22)13(23)19-7-6-12-20-14(24-21-12)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,19,23).
What are the key properties of 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide?
1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 90648306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).