2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

C9H8N4O4S — CID 7113449

IUPAC2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)o1
InChIInChI=1S/C9H8N4O4S/c1-4-7(17-5(2)11-4)8(14)12-9-10-3-6(18-9)13(15)16/h3H,1-2H3,(H,10,12,14)
InChIKeyAXGZEJAPZLZJRW-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.91
Rot. Bonds3

About 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 7113449) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
PubChem CID7113449
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)o1
InChIInChI=1S/C9H8N4O4S/c1-4-7(17-5(2)11-4)8(14)12-9-10-3-6(18-9)13(15)16/h3H,1-2H3,(H,10,12,14)
InChIKeyAXGZEJAPZLZJRW-UHFFFAOYSA-N
XLogP1.91
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 45086935
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
3'-methyl-N-(5-nitro-1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxamide
CID 18832108
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 71459570
2,2-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 4634913
2-ethoxy-6-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 167361920

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (CID 7113449) is 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)o1.
What is the InChIKey of 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is AXGZEJAPZLZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c1-4-7(17-5(2)11-4)8(14)12-9-10-3-6(18-9)13(15)16/h3H,1-2H3,(H,10,12,14).
What are the key properties of 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 268.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 7113449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).