4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H10N4O4 — CID 103939713

IUPAC4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccno2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c12-9-2-1-7(5-10(9)15(17)18)11(16)13-6-8-3-4-14-19-8/h1-5H,6,12H2,(H,13,16)
InChIKeyXCWYPEBMPYXUII-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.10
Rot. Bonds4

About 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide

4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 103939713) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID103939713
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccno2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c12-9-2-1-7(5-10(9)15(17)18)11(16)13-6-8-3-4-14-19-8/h1-5H,6,12H2,(H,13,16)
InChIKeyXCWYPEBMPYXUII-UHFFFAOYSA-N
XLogP1.10
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-bromo-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415790
4-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitrobenzamide
CID 49082954
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitrobenzamide
CID 71864161
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415796
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 103939713) is 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide is Nc1ccc(C(=O)NCc2ccno2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is XCWYPEBMPYXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c12-9-2-1-7(5-10(9)15(17)18)11(16)13-6-8-3-4-14-19-8/h1-5H,6,12H2,(H,13,16).
What are the key properties of 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide?
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 103939713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).