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

C12H11F3N4O3 — CID 118769856

IUPAC5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1noc(C(F)(F)F)n1)c1ncoc1C1CC1
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)11-18-7(19-22-11)3-4-16-10(20)8-9(6-1-2-6)21-5-17-8/h5-6H,1-4H2,(H,16,20)
InChIKeyTUHIXZPXELUDPL-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.93
Rot. Bonds5

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

5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 118769856) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID118769856
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1noc(C(F)(F)F)n1)c1ncoc1C1CC1
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)11-18-7(19-22-11)3-4-16-10(20)8-9(6-1-2-6)21-5-17-8/h5-6H,1-4H2,(H,16,20)
InChIKeyTUHIXZPXELUDPL-UHFFFAOYSA-N
XLogP1.93
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
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5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide
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5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide
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1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
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N,5-dicyclopropyl-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
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2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 119071610
(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-(cyclopropylmethyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146461232
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide (CID 118769856) is 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1noc(C(F)(F)F)n1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TUHIXZPXELUDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c13-12(14,15)11-18-7(19-22-11)3-4-16-10(20)8-9(6-1-2-6)21-5-17-8/h5-6H,1-4H2,(H,16,20).
What are the key properties of 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118769856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).