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

C13H14F3N3O3 — CID 124882157

IUPAC3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1conc1C1CC1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)6-19-4-3-9(12(19)21)17-11(20)8-5-22-18-10(8)7-1-2-7/h5,7,9H,1-4,6H2,(H,17,20)/t9-/m1/s1
InChIKeyNRJYKHOHUIPPLP-SECBINFHSA-N
MW317.27 g/mol
LogP1.45
Rot. Bonds4

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

3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 124882157) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID124882157
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1conc1C1CC1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)6-19-4-3-9(12(19)21)17-11(20)8-5-22-18-10(8)7-1-2-7/h5,7,9H,1-4,6H2,(H,17,20)/t9-/m1/s1
InChIKeyNRJYKHOHUIPPLP-SECBINFHSA-N
XLogP1.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide (CID 124882157) is 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide is O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1conc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is NRJYKHOHUIPPLP-SECBINFHSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c14-13(15,16)6-19-4-3-9(12(19)21)17-11(20)8-5-22-18-10(8)7-1-2-7/h5,7,9H,1-4,6H2,(H,17,20)/t9-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 124882157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).