5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide

C8H9F3N4O2 — CID 102790157

IUPAC5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C8H9F3N4O2/c9-8(10,11)7(1-2-13-3-7)6-14-5(4(12)16)15-17-6/h13H,1-3H2,(H2,12,16)
InChIKeyIPHSNNHENBPHQF-UHFFFAOYSA-N
MW250.18 g/mol
LogP-0.04
Rot. Bonds2

About 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide

5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790157) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790157
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C8H9F3N4O2/c9-8(10,11)7(1-2-13-3-7)6-14-5(4(12)16)15-17-6/h13H,1-3H2,(H2,12,16)
InChIKeyIPHSNNHENBPHQF-UHFFFAOYSA-N
XLogP-0.04
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709985
3-(3-methylbutyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63710522
3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709803
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790397
3-[cyclopropyl(ethoxy)methyl]-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 116703835
N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790638
5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790306
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743618
5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
CID 67441950
5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790119
3-methyl-6-[3-(trifluoromethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352040
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide (CID 102790157) is 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IPHSNNHENBPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c9-8(10,11)7(1-2-13-3-7)6-14-5(4(12)16)15-17-6/h13H,1-3H2,(H2,12,16).
What are the key properties of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).