3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C22H21F3N4O5 — CID 46870351

IUPAC3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1CO)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C22H21F3N4O5/c23-22(24,25)16-9-14(13-3-7-33-12-13)10-29-17(11-30)18(26-19(16)29)20(31)27-4-1-15(2-5-27)28-6-8-34-21(28)32/h3,7,9-10,12,15,30H,1-2,4-6,8,11H2
InChIKeyBAUAEDXVYQPOEB-UHFFFAOYSA-N
MW478.43 g/mol
LogP3.16
Rot. Bonds4

About 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 46870351) has the molecular formula C22H21F3N4O5 and a molecular weight of 478.43 g/mol. Its IUPAC name is 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID46870351
Molecular FormulaC22H21F3N4O5
Molecular Weight478.43 g/mol
Exact Mass478.15
IUPAC Name3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1CO)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C22H21F3N4O5/c23-22(24,25)16-9-14(13-3-7-33-12-13)10-29-17(11-30)18(26-19(16)29)20(31)27-4-1-15(2-5-27)28-6-8-34-21(28)32/h3,7,9-10,12,15,30H,1-2,4-6,8,11H2
InChIKeyBAUAEDXVYQPOEB-UHFFFAOYSA-N
XLogP3.16
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 46870351) is 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1CO)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BAUAEDXVYQPOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O5/c23-22(24,25)16-9-14(13-3-7-33-12-13)10-29-17(11-30)18(26-19(16)29)20(31)27-4-1-15(2-5-27)28-6-8-34-21(28)32/h3,7,9-10,12,15,30H,1-2,4-6,8,11H2.
What are the key properties of 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 478.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46870351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).