N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide

C9H6N4O4 — CID 169041191

IUPACN-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])n1)c1cocn1
InChIInChI=1S/C9H6N4O4/c14-9(6-4-17-5-10-6)12-7-2-1-3-8(11-7)13(15)16/h1-5H,(H,11,12,14)
InChIKeySGVYYEXLWJWXEZ-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.23
Rot. Bonds3

About N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide

N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 169041191) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID169041191
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC NameN-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])n1)c1cocn1
InChIInChI=1S/C9H6N4O4/c14-9(6-4-17-5-10-6)12-7-2-1-3-8(11-7)13(15)16/h1-5H,(H,11,12,14)
InChIKeySGVYYEXLWJWXEZ-UHFFFAOYSA-N
XLogP1.23
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
CID 115683192
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
N-(4-aminophenyl)-1,3-oxazole-4-carboxamide
CID 22612942
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62239792
N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 110689621
N'-(quinoline-2-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166194916
5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid
CID 155164296
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 115683304
2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine
CID 139990848

Frequently Asked Questions

What is the IUPAC name of N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide (CID 169041191) is N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])n1)c1cocn1.
What is the InChIKey of N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SGVYYEXLWJWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c14-9(6-4-17-5-10-6)12-7-2-1-3-8(11-7)13(15)16/h1-5H,(H,11,12,14).
What are the key properties of N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide?
N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 234.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 169041191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).