N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide

C15H20F2N4O3 — CID 156610765

IUPACN-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(F)(F)CN1C1CN(C(=O)c2cnoc2C)C1
InChIInChI=1S/C15H20F2N4O3/c1-9-13(5-19-24-9)14(23)20-6-12(7-20)21-8-15(16,17)3-11(21)4-18-10(2)22/h5,11-12H,3-4,6-8H2,1-2H3,(H,18,22)
InChIKeyOOHBNUBHBOEFEY-UHFFFAOYSA-N
MW342.35 g/mol
LogP0.65
Rot. Bonds4

About N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide

N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 156610765) has the molecular formula C15H20F2N4O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID156610765
Molecular FormulaC15H20F2N4O3
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC NameN-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(F)(F)CN1C1CN(C(=O)c2cnoc2C)C1
InChIInChI=1S/C15H20F2N4O3/c1-9-13(5-19-24-9)14(23)20-6-12(7-20)21-8-15(16,17)3-11(21)4-18-10(2)22/h5,11-12H,3-4,6-8H2,1-2H3,(H,18,22)
InChIKeyOOHBNUBHBOEFEY-UHFFFAOYSA-N
XLogP0.65
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide (CID 156610765) is N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NCC1CC(F)(F)CN1C1CN(C(=O)c2cnoc2C)C1.
What is the InChIKey of N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is OOHBNUBHBOEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O3/c1-9-13(5-19-24-9)14(23)20-6-12(7-20)21-8-15(16,17)3-11(21)4-18-10(2)22/h5,11-12H,3-4,6-8H2,1-2H3,(H,18,22).
What are the key properties of N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide?
N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 342.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-difluoro-1-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 156610765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).