N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

C10H9N3O5 — CID 10922966

IUPACN-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)C1COC(c2ccc([N+](=O)[O-])cc2)=N1
InChIInChI=1S/C10H9N3O5/c14-9(12-15)8-5-18-10(11-8)6-1-3-7(4-2-6)13(16)17/h1-4,8,15H,5H2,(H,12,14)
InChIKeyIDOMGBNKIIDCJH-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.25
Rot. Bonds3

About N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 10922966) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID10922966
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC NameN-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)C1COC(c2ccc([N+](=O)[O-])cc2)=N1
InChIInChI=1S/C10H9N3O5/c14-9(12-15)8-5-18-10(11-8)6-1-3-7(4-2-6)13(16)17/h1-4,8,15H,5H2,(H,12,14)
InChIKeyIDOMGBNKIIDCJH-UHFFFAOYSA-N
XLogP0.25
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 10922966) is N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)C1COC(c2ccc([N+](=O)[O-])cc2)=N1.
What is the InChIKey of N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is IDOMGBNKIIDCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c14-9(12-15)8-5-18-10(11-8)6-1-3-7(4-2-6)13(16)17/h1-4,8,15H,5H2,(H,12,14).
What are the key properties of N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 251.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10922966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).