1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide

C16H27F2N3O3 — CID 143783901

IUPAC1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide
SMILESCC.CC(=O)N1CC(F)(F)C1.CCc1cnc(CCNC(C)=O)o1
InChIInChI=1S/C9H14N2O2.C5H7F2NO.C2H6/c1-3-8-6-11-9(13-8)4-5-10-7(2)12;1-4(9)8-2-5(6,7)3-8;1-2/h6H,3-5H2,1-2H3,(H,10,12);2-3H2,1H3;1-2H3
InChIKeyTUMARRZBZSYBKJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.43
Rot. Bonds4

About 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide

1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide (PubChem CID 143783901) has the molecular formula C16H27F2N3O3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide
PubChem CID143783901
Molecular FormulaC16H27F2N3O3
Molecular Weight347.41 g/mol
Exact Mass347.20
IUPAC Name1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide
SMILESCC.CC(=O)N1CC(F)(F)C1.CCc1cnc(CCNC(C)=O)o1
InChIInChI=1S/C9H14N2O2.C5H7F2NO.C2H6/c1-3-8-6-11-9(13-8)4-5-10-7(2)12;1-4(9)8-2-5(6,7)3-8;1-2/h6H,3-5H2,1-2H3,(H,10,12);2-3H2,1H3;1-2H3
InChIKeyTUMARRZBZSYBKJ-UHFFFAOYSA-N
XLogP2.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
2-(2-Methyl-1,3-oxazol-5-yl)ethan-1-amine dihydrochloride
CID 137964433
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633
2-(2-Methyl-1,3-oxazol-5-yl)ethan-1-amine
CID 82125015
2,2,2-trifluoro-N-[2-(1,3-oxazol-5-yl)ethyl]acetamide
CID 124192032
2-(Azetidin-3-yl)-5-methyl-1,3-oxazole;2,2,2-trifluoroacetic acid
CID 146314140
3-[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178545
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methanamine
CID 65178881
1-[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179008
2-[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179130
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179166
[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-2-yl]methanamine
CID 65179954

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide (CID 143783901) is 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide is CC.CC(=O)N1CC(F)(F)C1.CCc1cnc(CCNC(C)=O)o1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide?
The InChIKey is TUMARRZBZSYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C5H7F2NO.C2H6/c1-3-8-6-11-9(13-8)4-5-10-7(2)12;1-4(9)8-2-5(6,7)3-8;1-2/h6H,3-5H2,1-2H3,(H,10,12);2-3H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide?
1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide has a molecular weight of 347.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)ethanone;ethane;N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 143783901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).