N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide

C12H14N2O5 — CID 103604595

IUPACN-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCOCC1
InChIInChI=1S/C12H14N2O5/c15-11-2-1-9(14(17)18)7-10(11)13-12(16)8-3-5-19-6-4-8/h1-2,7-8,15H,3-6H2,(H,13,16)
InChIKeyYSAXTFBMVLLRQK-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.67
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide

N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide (PubChem CID 103604595) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
PubChem CID103604595
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCOCC1
InChIInChI=1S/C12H14N2O5/c15-11-2-1-9(14(17)18)7-10(11)13-12(16)8-3-5-19-6-4-8/h1-2,7-8,15H,3-6H2,(H,13,16)
InChIKeyYSAXTFBMVLLRQK-UHFFFAOYSA-N
XLogP1.67
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
CID 103894364
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103894405
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide (CID 103604595) is N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCOCC1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide?
The InChIKey is YSAXTFBMVLLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-11-2-1-9(14(17)18)7-10(11)13-12(16)8-3-5-19-6-4-8/h1-2,7-8,15H,3-6H2,(H,13,16).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide?
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide is sourced from PubChem (CID 103604595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).