(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide

C12H17F2N3O2 — CID 67953447

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CC(F)(F)CN2)no1
InChIInChI=1S/C12H17F2N3O2/c1-11(2,3)8-4-9(17-19-8)16-10(18)7-5-12(13,14)6-15-7/h4,7,15H,5-6H2,1-3H3,(H,16,17,18)/t7-/m0/s1
InChIKeyPENWDWIFWZDSJF-ZETCQYMHSA-N
MW273.28 g/mol
LogP1.91
Rot. Bonds2

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 67953447) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID67953447
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CC(F)(F)CN2)no1
InChIInChI=1S/C12H17F2N3O2/c1-11(2,3)8-4-9(17-19-8)16-10(18)7-5-12(13,14)6-15-7/h4,7,15H,5-6H2,1-3H3,(H,16,17,18)/t7-/m0/s1
InChIKeyPENWDWIFWZDSJF-ZETCQYMHSA-N
XLogP1.91
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide (CID 67953447) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CC(F)(F)CN2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is PENWDWIFWZDSJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-11(2,3)8-4-9(17-19-8)16-10(18)7-5-12(13,14)6-15-7/h4,7,15H,5-6H2,1-3H3,(H,16,17,18)/t7-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 67953447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).