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

C21H18ClF3N4O4 — CID 46870987

IUPAC3-[1-[3-chloro-6-(furan-3-yl)-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)cn2c1Cl)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H18ClF3N4O4/c22-17-16(19(30)27-4-1-14(2-5-27)28-6-8-33-20(28)31)26-18-15(21(23,24)25)9-13(10-29(17)18)12-3-7-32-11-12/h3,7,9-11,14H,1-2,4-6,8H2
InChIKeyVYNRISZSNBWYOA-UHFFFAOYSA-N
MW482.85 g/mol
LogP4.32
Rot. Bonds3

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

3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 46870987) has the molecular formula C21H18ClF3N4O4 and a molecular weight of 482.85 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID46870987
Molecular FormulaC21H18ClF3N4O4
Molecular Weight482.85 g/mol
Exact Mass482.10
IUPAC Name3-[1-[3-chloro-6-(furan-3-yl)-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)cn2c1Cl)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H18ClF3N4O4/c22-17-16(19(30)27-4-1-14(2-5-27)28-6-8-33-20(28)31)26-18-15(21(23,24)25)9-13(10-29(17)18)12-3-7-32-11-12/h3,7,9-11,14H,1-2,4-6,8H2
InChIKeyVYNRISZSNBWYOA-UHFFFAOYSA-N
XLogP4.32
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.85
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 46870987) is 3-[1-[3-chloro-6-(furan-3-yl)-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-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-chloro-6-(furan-3-yl)-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)cn2c1Cl)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is VYNRISZSNBWYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O4/c22-17-16(19(30)27-4-1-14(2-5-27)28-6-8-33-20(28)31)26-18-15(21(23,24)25)9-13(10-29(17)18)12-3-7-32-11-12/h3,7,9-11,14H,1-2,4-6,8H2.
What are the key properties of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 482.85 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46870987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).