methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C16H19N3O6 — CID 70287549

IUPACmethyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc3c(c2)OC(C)C(=O)N3C)C(=O)O1
InChIInChI=1S/C16H19N3O6/c1-9-14(20)18(2)12-5-4-10(6-13(12)24-9)19-8-11(25-16(19)22)7-17-15(21)23-3/h4-6,9,11H,7-8H2,1-3H3,(H,17,21)/t9?,11-/m0/s1
InChIKeySZGCCTHDLRRGSO-UMJHXOGRSA-N
MW349.34 g/mol
LogP1.11
Rot. Bonds3

About methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 70287549) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID70287549
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Namemethyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc3c(c2)OC(C)C(=O)N3C)C(=O)O1
InChIInChI=1S/C16H19N3O6/c1-9-14(20)18(2)12-5-4-10(6-13(12)24-9)19-8-11(25-16(19)22)7-17-15(21)23-3/h4-6,9,11H,7-8H2,1-3H3,(H,17,21)/t9?,11-/m0/s1
InChIKeySZGCCTHDLRRGSO-UMJHXOGRSA-N
XLogP1.11
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[[3-(2-methoxyimino-1-methyl-3,4-dihydroquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310
methyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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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-[[(5S)-3-[3-fluoro-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 140880981
methyl N-[[3-[3-fluoro-4-[2-methyl-5-(methylsulfanylmethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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methyl N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 91487728
N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214261
methyl N-[[3-[3-fluoro-4-(1-formyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 75096338
methyl N-[[(5S)-3-[3-fluoro-4-[4-(5-nitrofuran-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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N-[[3-(3-cyanoimino-4-methyl-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 85417223

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of 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) is methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc3c(c2)OC(C)C(=O)N3C)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is SZGCCTHDLRRGSO-UMJHXOGRSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-9-14(20)18(2)12-5-4-10(6-13(12)24-9)19-8-11(25-16(19)22)7-17-15(21)23-3/h4-6,9,11H,7-8H2,1-3H3,(H,17,21)/t9?,11-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 349.34 g/mol, XLogP of 1.11, 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-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 70287549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).