5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

C10H11N3O5S — CID 6433427

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IUPAC5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
SMILESCSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1
InChIInChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
InChIKeySRQKTCXJCCHINN-NYYWCZLTSA-N
MW285.28 g/mol
LogP1.71
Rot. Bonds5

About 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one (PubChem CID 6433427) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
PubChem CID6433427
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
SMILESCSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1
InChIInChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
InChIKeySRQKTCXJCCHINN-NYYWCZLTSA-N
XLogP1.71
TPSA98.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Furazolidone
CID 5323714
Furaltadone
CID 9553856
Levofuraltadone
CID 9579050
Furaltadone hydrochloride
CID 9576185
3-(5-Nitrofurfurylideneamino)-2-oxazolidinone
CID 3435
Furmethoxadone
CID 9568079
3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 5353636
5-Morpholinomethyl-3-[5-nitrofurfurylideneamino]-2-oxazolidinone
CID 3434
3-{[(5-Nitrofuran-2-yl)methylidene]amino}-1,3-thiazolidin-2-one
CID 221597
D-Furaltadone hydrochloride
CID 92968
5-(methylsulfanylmethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 6507267
2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, ethyl ester
CID 5356210

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one (CID 6433427) is 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one is CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1.
What is the InChIKey of 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is SRQKTCXJCCHINN-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+.
What are the key properties of 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one?
5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 285.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 6433427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).