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

C15H16F3N5O2 — CID 168766577

IUPAC1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](c1nc(-c2ccnc(C(F)(F)F)c2)no1)N1CCCC1C(N)=O
InChIInChI=1S/C15H16F3N5O2/c1-8(23-6-2-3-10(23)12(19)24)14-21-13(22-25-14)9-4-5-20-11(7-9)15(16,17)18/h4-5,7-8,10H,2-3,6H2,1H3,(H2,19,24)/t8-,10?/m0/s1
InChIKeyCCSONTJNRLNJIG-PEHGTWAWSA-N
MW355.32 g/mol
LogP2.16
Rot. Bonds4

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

1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 168766577) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID168766577
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](c1nc(-c2ccnc(C(F)(F)F)c2)no1)N1CCCC1C(N)=O
InChIInChI=1S/C15H16F3N5O2/c1-8(23-6-2-3-10(23)12(19)24)14-21-13(22-25-14)9-4-5-20-11(7-9)15(16,17)18/h4-5,7-8,10H,2-3,6H2,1H3,(H2,19,24)/t8-,10?/m0/s1
InChIKeyCCSONTJNRLNJIG-PEHGTWAWSA-N
XLogP2.16
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (CID 168766577) is 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is C[C@@H](c1nc(-c2ccnc(C(F)(F)F)c2)no1)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CCSONTJNRLNJIG-PEHGTWAWSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-8(23-6-2-3-10(23)12(19)24)14-21-13(22-25-14)9-4-5-20-11(7-9)15(16,17)18/h4-5,7-8,10H,2-3,6H2,1H3,(H2,19,24)/t8-,10?/m0/s1.
What are the key properties of 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 168766577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).