N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C15H13F3N4O3 — CID 126771353

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)8-22-6-3-10(14(22)24)20-13(23)11-7-12(25-21-11)9-1-4-19-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H,20,23)
InChIKeyOHFJEYFXIYLEOA-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.63
Rot. Bonds4

About N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 126771353) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID126771353
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)8-22-6-3-10(14(22)24)20-13(23)11-7-12(25-21-11)9-1-4-19-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H,20,23)
InChIKeyOHFJEYFXIYLEOA-UHFFFAOYSA-N
XLogP1.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 126771353) is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)c1cc(-c2ccncc2)on1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is OHFJEYFXIYLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c16-15(17,18)8-22-6-3-10(14(22)24)20-13(23)11-7-12(25-21-11)9-1-4-19-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H,20,23).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126771353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).