5-Methyl-N-(5-nitro-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine

HCID 91155

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Basic information

CAS: 24240-83-3
Standard SMILES: CC1CN=C(Nc2ncc([N+](=O)[O-])s2)O1
InChIKey: DXCNTKBIYKHJAJ-UHFFFAOYSA-N
Molecular formula: C7H8N4O3S
Average molar mass: 228.23 g/mol
Monoisotopic mass: 228.0317113

Names & identifiers

Preferred name: 5-Methyl-N-(5-nitro-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
IUPAC: 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine

Names & synonyms

DTXSID809470605-methyl-n-(5-nitro-1,3-thiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine24240-83-3RefChem:1073140DTXCID401375327BRN 54042864,5-Dihydro-4-methyl-N-(5-nitro-2-thiazolyl)-2-oxazolamine2-Oxazolamine, 4,5-dihydro-4-methyl-N-(5-nitro-2-thiazolyl)-2-(4-Methyl-1,3-oxazolidinyliden-(2)-amino)-5-nitrothiazol [German]2-(4-Methyl-1,3-oxazolidinyliden-(2)-amino)-5-nitrothiazol

Database identifiers

CAS: 24240-83-3
PubChem CID: 91155
DTXSID: DTXSID80947060

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 292

Experimental & physicochemical properties

LogP1.34

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Compound notes

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