cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate

C17H19F2N3O5 — CID 135281024

IUPACcyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
SMILESO=C1N2CC(c3ncco3)=CC(C2)N1OC(F)(F)C(=O)OC1CCCCC1
InChIInChI=1S/C17H19F2N3O5/c18-17(19,15(23)26-13-4-2-1-3-5-13)27-22-12-8-11(14-20-6-7-25-14)9-21(10-12)16(22)24/h6-8,12-13H,1-5,9-10H2
InChIKeyIVUUHIYMHRCFSM-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.58
Rot. Bonds5

About cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate

cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate (PubChem CID 135281024) has the molecular formula C17H19F2N3O5 and a molecular weight of 383.35 g/mol. Its IUPAC name is cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate.

Molecular Properties

Compound Namecyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
PubChem CID135281024
Molecular FormulaC17H19F2N3O5
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Namecyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
SMILESO=C1N2CC(c3ncco3)=CC(C2)N1OC(F)(F)C(=O)OC1CCCCC1
InChIInChI=1S/C17H19F2N3O5/c18-17(19,15(23)26-13-4-2-1-3-5-13)27-22-12-8-11(14-20-6-7-25-14)9-21(10-12)16(22)24/h6-8,12-13H,1-5,9-10H2
InChIKeyIVUUHIYMHRCFSM-UHFFFAOYSA-N
XLogP2.58
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 122673386
ethyl 2,2-difluoro-2-[[(5R)-3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 122678031
2,2-difluoro-2-[[(5R)-3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid
CID 134392467
2,2-Difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid
CID 135281018
Cycloheptyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 135281029
(2,2,6,6-Tetramethyloxan-4-yl) 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 135281032
Hexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 135294084
6-(1,1-Difluoro-2-hexadecoxy-2-hydroxyethoxy)-3-(1,3-oxazol-2-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 135294118
Heptan-4-yl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 135294158
heptan-4-yl 2,2-difluoro-2-[formyl-[1-methyl-5-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-3-yl]amino]oxyacetate
CID 135298696
Hexadecyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate
CID 135298759
(2,2,6,6-tetramethyloxan-4-yl) 2,2-difluoro-2-[formyl-[1-methyl-5-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-3-yl]amino]oxyacetate
CID 135298760

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate?
The IUPAC name of cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate (CID 135281024) is cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate.
What is the SMILES notation for cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate?
The canonical SMILES for cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate is O=C1N2CC(c3ncco3)=CC(C2)N1OC(F)(F)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate?
The InChIKey is IVUUHIYMHRCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O5/c18-17(19,15(23)26-13-4-2-1-3-5-13)27-22-12-8-11(14-20-6-7-25-14)9-21(10-12)16(22)24/h6-8,12-13H,1-5,9-10H2.
What are the key properties of cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate?
cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate has a molecular weight of 383.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate is sourced from PubChem (CID 135281024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).