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

C13H17F3N4O2 — CID 167933158

IUPACN-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1(c2ncon2)CCCC1)C1CCC(C(F)(F)F)N1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)9-4-3-8(18-9)10(21)19-12(5-1-2-6-12)11-17-7-22-20-11/h7-9,18H,1-6H2,(H,19,21)
InChIKeyABNHACGQMFKIAX-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.64
Rot. Bonds3

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

N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 167933158) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID167933158
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1(c2ncon2)CCCC1)C1CCC(C(F)(F)F)N1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)9-4-3-8(18-9)10(21)19-12(5-1-2-6-12)11-17-7-22-20-11/h7-9,18H,1-6H2,(H,19,21)
InChIKeyABNHACGQMFKIAX-UHFFFAOYSA-N
XLogP1.64
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 167933158) is N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide is O=C(NC1(c2ncon2)CCCC1)C1CCC(C(F)(F)F)N1.
What is the InChIKey of N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is ABNHACGQMFKIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)9-4-3-8(18-9)10(21)19-12(5-1-2-6-12)11-17-7-22-20-11/h7-9,18H,1-6H2,(H,19,21).
What are the key properties of N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide?
N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,4-oxadiazol-3-yl)cyclopentyl]-5-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167933158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).