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

C10H13F3N4O2 — CID 106397234

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ncno1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)9(2-4-14-5-9)8(18)15-3-1-7-16-6-17-19-7/h6,14H,1-5H2,(H,15,18)
InChIKeyKRNHSSGFYCROFI-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.27
Rot. Bonds4

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106397234) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106397234
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ncno1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)9(2-4-14-5-9)8(18)15-3-1-7-16-6-17-19-7/h6,14H,1-5H2,(H,15,18)
InChIKeyKRNHSSGFYCROFI-UHFFFAOYSA-N
XLogP0.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole hydrochloride
CID 134691093
4-(1,2,4-Oxadiazol-5-yl)pyrrolidin-2-one
CID 129800491
3-(2,2,2-Trifluoroethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 55226882
5-(3-Methylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63144874
3-Methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63708360
N,N-diethyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 63709796
3-Propyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709798
3-Propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63710869
3-Ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63711053
3-(2,2-Dimethylpropyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63891699
5-[3-(Trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 65419218
5-(3-Methylpyrrolidin-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 79953110

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106397234) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ncno1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KRNHSSGFYCROFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)9(2-4-14-5-9)8(18)15-3-1-7-16-6-17-19-7/h6,14H,1-5H2,(H,15,18).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106397234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).