(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

C9H9N3O5 — CID 86294905

IUPAC(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1
InChIInChI=1S/C9H9N3O5/c1-6-5-11(9(13)16-6)10-4-7-2-3-8(17-7)12(14)15/h2-4,6H,5H2,1H3/b10-4-/t6-/m1/s1
InChIKeyTUTQORSNAITDSX-DKLDRGHMSA-N
MW239.19 g/mol
LogP1.36
Rot. Bonds3

About (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one (PubChem CID 86294905) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
PubChem CID86294905
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1
InChIInChI=1S/C9H9N3O5/c1-6-5-11(9(13)16-6)10-4-7-2-3-8(17-7)12(14)15/h2-4,6H,5H2,1H3/b10-4-/t6-/m1/s1
InChIKeyTUTQORSNAITDSX-DKLDRGHMSA-N
XLogP1.36
TPSA98.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(methylsulfinylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 71604426
5-butyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
CID 54609514
[3-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-oxazolidin-5-yl]methyl formate
CID 154105430
5-(morpholin-4-ium-4-ylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 24848395
(5S)-5-(morpholin-4-ylmethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
CID 6321391
(5S)-5-[(dibenzylamino)methyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 94908988
3-[(5-nitrofuran-2-yl)methylideneamino]-5-[(4-oxidomorpholin-4-ium-4-yl)methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 129318862
3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 132936162
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-[[1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-1-yl]methyl]-1,3-oxazolidin-2-one iodide
CID 54605264
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
3-(hydroxymethyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6436103

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one (CID 86294905) is (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one is C[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1.
What is the InChIKey of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is TUTQORSNAITDSX-DKLDRGHMSA-N. The full InChI is InChI=1S/C9H9N3O5/c1-6-5-11(9(13)16-6)10-4-7-2-3-8(17-7)12(14)15/h2-4,6H,5H2,1H3/b10-4-/t6-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 239.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86294905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).