(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

C15H14F4N4O5 — CID 87470609

IUPAC(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2cc(F)c3c(c2)o/c(=N/OC)n3CC(F)(F)F)C(=O)O1
InChIInChI=1S/C15H14F4N4O5/c1-20-12(24)10-5-22(14(25)28-10)7-3-8(16)11-9(4-7)27-13(21-26-2)23(11)6-15(17,18)19/h3-4,10H,5-6H2,1-2H3,(H,20,24)/b21-13+/t10-/m1/s1
InChIKeyWJGFUYONUQRLSG-BAXGVUQRSA-N
MW406.29 g/mol
LogP1.47
Rot. Bonds4

About (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 87470609) has the molecular formula C15H14F4N4O5 and a molecular weight of 406.29 g/mol. Its IUPAC name is (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID87470609
Molecular FormulaC15H14F4N4O5
Molecular Weight406.29 g/mol
Exact Mass406.09
IUPAC Name(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2cc(F)c3c(c2)o/c(=N/OC)n3CC(F)(F)F)C(=O)O1
InChIInChI=1S/C15H14F4N4O5/c1-20-12(24)10-5-22(14(25)28-10)7-3-8(16)11-9(4-7)27-13(21-26-2)23(11)6-15(17,18)19/h3-4,10H,5-6H2,1-2H3,(H,20,24)/b21-13+/t10-/m1/s1
InChIKeyWJGFUYONUQRLSG-BAXGVUQRSA-N
XLogP1.47
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

(5R)-3-[3-tert-butyl-4-fluoro-2-(2-hydroxyethoxyimino)-1,3-benzoxazol-6-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 91036990
methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate
CID 10287278
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746248
[(5S)-3-[3,5-difluoro-4-(3-methoxyiminoazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 87806508
N-[[(5S)-3-[3,5-difluoro-4-[(7Z)-7-methoxyimino-5-azaspiro[2.4]heptan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 46182570
(5R)-3-[4-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 87470731
(5R)-3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58599566
(5R)-3-(4-fluoro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215035
(5R)-N-butyl-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 142669422
methyl 3-[3,5-difluoro-4-(thiazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate
CID 69467235
[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 22479574

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (CID 87470609) is (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)[C@H]1CN(c2cc(F)c3c(c2)o/c(=N/OC)n3CC(F)(F)F)C(=O)O1.
What is the InChIKey of (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is WJGFUYONUQRLSG-BAXGVUQRSA-N. The full InChI is InChI=1S/C15H14F4N4O5/c1-20-12(24)10-5-22(14(25)28-10)7-3-8(16)11-9(4-7)27-13(21-26-2)23(11)6-15(17,18)19/h3-4,10H,5-6H2,1-2H3,(H,20,24)/b21-13+/t10-/m1/s1.
What are the key properties of (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 406.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 87470609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).