(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide

C16H12F3N3O5 — CID 58746273

IUPAC(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2cc(F)c3c(c2)OC(F)(F)C2=CC(=O)CCN23)C(=O)O1
InChIInChI=1S/C16H12F3N3O5/c17-9-3-7(22-6-11(14(20)24)26-15(22)25)4-10-13(9)21-2-1-8(23)5-12(21)16(18,19)27-10/h3-5,11H,1-2,6H2,(H2,20,24)/t11-/m1/s1
InChIKeyHPFANUHGVNLYFT-LLVKDONJSA-N
MW383.28 g/mol
LogP1.28
Rot. Bonds2

About (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide

(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide (PubChem CID 58746273) has the molecular formula C16H12F3N3O5 and a molecular weight of 383.28 g/mol. Its IUPAC name is (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
PubChem CID58746273
Molecular FormulaC16H12F3N3O5
Molecular Weight383.28 g/mol
Exact Mass383.07
IUPAC Name(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2cc(F)c3c(c2)OC(F)(F)C2=CC(=O)CCN23)C(=O)O1
InChIInChI=1S/C16H12F3N3O5/c17-9-3-7(22-6-11(14(20)24)26-15(22)25)4-10-13(9)21-2-1-8(23)5-12(21)16(18,19)27-10/h3-5,11H,1-2,6H2,(H2,20,24)/t11-/m1/s1
InChIKeyHPFANUHGVNLYFT-LLVKDONJSA-N
XLogP1.28
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxopyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
CID 58746313
(5R)-3-(7-fluoro-1-methyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11536643
3-[4-(1,1-dioxo-1,4-thiazepan-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11625257
tert-butyl 3-[4-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 22505086
(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215035
(5R)-3-[3-tert-butyl-4-fluoro-2-(2-hydroxyethoxyimino)-1,3-benzoxazol-6-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 91036990
(5R)-3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide;(5R)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 159385932
3-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69022376
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
(5R)-3-[4-[(1R,5S)-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58978127
3-[3,5-difluoro-4-(thiazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69475435
[(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid
CID 20813920

Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide (CID 58746273) is (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide is NC(=O)[C@H]1CN(c2cc(F)c3c(c2)OC(F)(F)C2=CC(=O)CCN23)C(=O)O1.
What is the InChIKey of (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide?
The InChIKey is HPFANUHGVNLYFT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H12F3N3O5/c17-9-3-7(22-6-11(14(20)24)26-15(22)25)4-10-13(9)21-2-1-8(23)5-12(21)16(18,19)27-10/h3-5,11H,1-2,6H2,(H2,20,24)/t11-/m1/s1.
What are the key properties of (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide?
(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-3-(1,6,6-trifluoro-8-oxo-9,10-dihydropyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).