2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid

C15H23F3N2O4 — CID 146627421

IUPAC2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCON1CCCC1CC2CCC(C1)N2
InChIInChI=1S/C13H22N2O2.C2HF3O2/c16-13-5-7-17-15(13)6-1-2-10-8-11-3-4-12(9-10)14-11;3-2(4,5)1(6)7/h10-12,14H,1-9H2;(H,6,7)
InChIKeyTYZNCZSDILNWSW-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.09
Rot. Bonds4

About 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid

2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid (PubChem CID 146627421) has the molecular formula C15H23F3N2O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid
PubChem CID146627421
Molecular FormulaC15H23F3N2O4
Molecular Weight352.35 g/mol
Exact Mass352.16
IUPAC Name2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCON1CCCC1CC2CCC(C1)N2
InChIInChI=1S/C13H22N2O2.C2HF3O2/c16-13-5-7-17-15(13)6-1-2-10-8-11-3-4-12(9-10)14-11;3-2(4,5)1(6)7/h10-12,14H,1-9H2;(H,6,7)
InChIKeyTYZNCZSDILNWSW-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid (CID 146627421) is 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCON1CCCC1CC2CCC(C1)N2.
What is the InChIKey of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is TYZNCZSDILNWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.C2HF3O2/c16-13-5-7-17-15(13)6-1-2-10-8-11-3-4-12(9-10)14-11;3-2(4,5)1(6)7/h10-12,14H,1-9H2;(H,6,7).
What are the key properties of 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid?
2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 352.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146627421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).