N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C17H17F3N4O3 — CID 39340819

IUPACN-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)10-4-3-7-12(8-10)21-14(25)9-13-23-16(27-24-13)15(26)22-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,21,25)(H,22,26)
InChIKeyXZYHYQTZSBMAHO-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39340819) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39340819
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)10-4-3-7-12(8-10)21-14(25)9-13-23-16(27-24-13)15(26)22-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,21,25)(H,22,26)
InChIKeyXZYHYQTZSBMAHO-UHFFFAOYSA-N
XLogP2.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 39340819) is N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(Cc1noc(C(=O)NC2CCCC2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XZYHYQTZSBMAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)10-4-3-7-12(8-10)21-14(25)9-13-23-16(27-24-13)15(26)22-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2,(H,21,25)(H,22,26).
What are the key properties of N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39340819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).