methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C15H15F2N3O6 — CID 23660120

IUPACmethyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2cc(F)c3c(c2F)COC(=O)N3C)C(=O)O1
InChIInChI=1S/C15H15F2N3O6/c1-19-12-8(6-25-14(19)22)11(17)10(3-9(12)16)20-5-7(26-15(20)23)4-18-13(21)24-2/h3,7H,4-6H2,1-2H3,(H,18,21)/t7-/m0/s1
InChIKeyZTKPEKZOPLQENU-ZETCQYMHSA-N
MW371.30 g/mol
LogP1.73
Rot. Bonds3

About methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 23660120) has the molecular formula C15H15F2N3O6 and a molecular weight of 371.30 g/mol. Its IUPAC name is methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID23660120
Molecular FormulaC15H15F2N3O6
Molecular Weight371.30 g/mol
Exact Mass371.09
IUPAC Namemethyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2cc(F)c3c(c2F)COC(=O)N3C)C(=O)O1
InChIInChI=1S/C15H15F2N3O6/c1-19-12-8(6-25-14(19)22)11(17)10(3-9(12)16)20-5-7(26-15(20)23)4-18-13(21)24-2/h3,7H,4-6H2,1-2H3,(H,18,21)/t7-/m0/s1
InChIKeyZTKPEKZOPLQENU-ZETCQYMHSA-N
XLogP1.73
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

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Related Compounds

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methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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methyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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CID 69275405
methyl N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-oxo-3λ4-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 140880978
N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 89204437
tert-butyl N-[[3-[5,8-bis(fluoromethyl)-2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 90710447
methyl N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 143999626
methyl N-[[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 126494437
methyl N-[(1R,5S)-3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 59996387
methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 70287549
methyl N-[[3-[4-[4-(2-benzamidoacetyl)piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 91614211

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 23660120) is methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2cc(F)c3c(c2F)COC(=O)N3C)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is ZTKPEKZOPLQENU-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H15F2N3O6/c1-19-12-8(6-25-14(19)22)11(17)10(3-9(12)16)20-5-7(26-15(20)23)4-18-13(21)24-2/h3,7H,4-6H2,1-2H3,(H,18,21)/t7-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 371.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 23660120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).