N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide

C7H9N3O4 — CID 162645327

IUPACN,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O4/c1-4-6(10(12)13)5(8-14-4)7(11)9(2)3/h1-3H3
InChIKeyAGMXAZHCLVFULX-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.59
Rot. Bonds2

About N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide

N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide (PubChem CID 162645327) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide
PubChem CID162645327
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC NameN,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O4/c1-4-6(10(12)13)5(8-14-4)7(11)9(2)3/h1-3H3
InChIKeyAGMXAZHCLVFULX-UHFFFAOYSA-N
XLogP0.59
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2,6-Dimethylpiperidino)(5-methyl-4-nitro-3-isoxazolyl)methanone
CID 12004924
1-[(5-Isopropyl-4-nitroisoxazol-3-yl)carbonyl]piperidine
CID 12004944
1-[(5-Isopropyl-4-nitroisoxazol-3-yl)carbonyl]azepane
CID 16188051
4-[(5-Methyl-4-nitroisoxazol-3-yl)carbonyl]morpholine
CID 16188083
N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864741
2-Ethyl-1-[(5-isopropyl-4-nitroisoxazol-3-yl)carbonyl]piperidine
CID 12004548
1-[(5-Isopropyl-4-nitroisoxazol-3-yl)carbonyl]-2-methylpiperidine
CID 12004941
N-cyclohexyl-5-isopropyl-N-methyl-4-nitroisoxazole-3-carboxamide
CID 16187485
5-Methyl-4-nitro-N-(prop-2-yn-1-yl)isoxazole-3-carboxamide
CID 162666797
1-[(5-Isopropyl-4-nitroisoxazol-3-yl)carbonyl]-2,6-dimethylpiperidine
CID 12005004
1-[4-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 57401199
4-amino-N,N-dimethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 70431346

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide (CID 162645327) is N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)N(C)C)c1[N+](=O)[O-].
What is the InChIKey of N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide?
The InChIKey is AGMXAZHCLVFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-4-6(10(12)13)5(8-14-4)7(11)9(2)3/h1-3H3.
What are the key properties of N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide?
N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide has a molecular weight of 199.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-nitro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162645327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).