(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C15H22F3N3O2 — CID 94589058

IUPAC(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCC[C@H]2C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C15H22F3N3O2/c1-14(2,3)11-7-19-12(23-11)8-21-6-4-5-10(21)13(22)20-9-15(16,17)18/h7,10H,4-6,8-9H2,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyIVELRAHBZUMLSJ-JTQLQIEISA-N
MW333.35 g/mol
LogP2.62
Rot. Bonds4

About (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 94589058) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID94589058
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCC[C@H]2C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C15H22F3N3O2/c1-14(2,3)11-7-19-12(23-11)8-21-6-4-5-10(21)13(22)20-9-15(16,17)18/h7,10H,4-6,8-9H2,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyIVELRAHBZUMLSJ-JTQLQIEISA-N
XLogP2.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 94589058) is (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(C)(C)c1cnc(CN2CCC[C@H]2C(=O)NCC(F)(F)F)o1.
What is the InChIKey of (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is IVELRAHBZUMLSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-14(2,3)11-7-19-12(23-11)8-21-6-4-5-10(21)13(22)20-9-15(16,17)18/h7,10H,4-6,8-9H2,1-3H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94589058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).