(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C13H13N3O5 — CID 10149461

IUPAC(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCN1C(=O)COc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21
InChIInChI=1S/C13H13N3O5/c1-15-8-3-2-7(4-9(8)20-6-11(15)17)16-5-10(12(14)18)21-13(16)19/h2-4,10H,5-6H2,1H3,(H2,14,18)/t10-/m1/s1
InChIKeyZXECHFBZDGVJIM-SNVBAGLBSA-N
MW291.26 g/mol
LogP-0.15
Rot. Bonds2

About (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 10149461) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID10149461
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCN1C(=O)COc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21
InChIInChI=1S/C13H13N3O5/c1-15-8-3-2-7(4-9(8)20-6-11(15)17)16-5-10(12(14)18)21-13(16)19/h2-4,10H,5-6H2,1H3,(H2,14,18)/t10-/m1/s1
InChIKeyZXECHFBZDGVJIM-SNVBAGLBSA-N
XLogP-0.15
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 10149461) is (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is CN1C(=O)COc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21.
What is the InChIKey of (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is ZXECHFBZDGVJIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-15-8-3-2-7(4-9(8)20-6-11(15)17)16-5-10(12(14)18)21-13(16)19/h2-4,10H,5-6H2,1H3,(H2,14,18)/t10-/m1/s1.
What are the key properties of (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 291.26 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 10149461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).