N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C14H14N2O3 — CID 71979950

IUPACN-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESN#Cc1ccc(O)c(NC(=O)C2CC3CCC2O3)c1
InChIInChI=1S/C14H14N2O3/c15-7-8-1-3-12(17)11(5-8)16-14(18)10-6-9-2-4-13(10)19-9/h1,3,5,9-10,13,17H,2,4,6H2,(H,16,18)
InChIKeyLOSPIKAYCXRFBR-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.77
Rot. Bonds2

About N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71979950) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71979950
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESN#Cc1ccc(O)c(NC(=O)C2CC3CCC2O3)c1
InChIInChI=1S/C14H14N2O3/c15-7-8-1-3-12(17)11(5-8)16-14(18)10-6-9-2-4-13(10)19-9/h1,3,5,9-10,13,17H,2,4,6H2,(H,16,18)
InChIKeyLOSPIKAYCXRFBR-UHFFFAOYSA-N
XLogP1.77
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 153395407
(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 97246485
2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
CID 89084305
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
3-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzonitrile
CID 82713628
5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688731
(1S,2R,4R)-N-(2-bromo-6-fluorophenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 97007827
5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
CID 126835225
(2R,5S)-5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945464
(1S,2R,4R)-N-(2H-triazol-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154867617
4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 119353292
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71979950) is N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is N#Cc1ccc(O)c(NC(=O)C2CC3CCC2O3)c1.
What is the InChIKey of N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LOSPIKAYCXRFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-7-8-1-3-12(17)11(5-8)16-14(18)10-6-9-2-4-13(10)19-9/h1,3,5,9-10,13,17H,2,4,6H2,(H,16,18).
What are the key properties of N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71979950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).