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

C15H22F3N3O2 — CID 47070653

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCCC2C(=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)
InChIKeyIVELRAHBZUMLSJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.62
Rot. Bonds4

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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 47070653) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID47070653
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCCC2C(=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)
InChIKeyIVELRAHBZUMLSJ-UHFFFAOYSA-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 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 47070653) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(C)(C)c1cnc(CN2CCCC2C(=O)NCC(F)(F)F)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is IVELRAHBZUMLSJ-UHFFFAOYSA-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).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
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 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47070653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).