N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide

C16H18N2O3 — CID 51972824

IUPACN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
SMILESO=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c19-14-3-1-2-13(8-14)18-16(21)15(20)17-9-12-7-10-4-5-11(12)6-10/h1-5,8,10-12,19H,6-7,9H2,(H,17,20)(H,18,21)/t10-,11+,12-/m1/s1
InChIKeyBRHNMPFMJFHIKT-GRYCIOLGSA-N
MW286.33 g/mol
LogP1.66
Rot. Bonds3

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide (PubChem CID 51972824) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
PubChem CID51972824
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
SMILESO=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c19-14-3-1-2-13(8-14)18-16(21)15(20)17-9-12-7-10-4-5-11(12)6-10/h1-5,8,10-12,19H,6-7,9H2,(H,17,20)(H,18,21)/t10-,11+,12-/m1/s1
InChIKeyBRHNMPFMJFHIKT-GRYCIOLGSA-N
XLogP1.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51044200
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 98231928
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-[4-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 98229550
3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide
CID 124845973
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
CID 134224964
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide?
The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide (CID 51972824) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide.
What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide?
The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide is O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide?
The InChIKey is BRHNMPFMJFHIKT-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-3-1-2-13(8-14)18-16(21)15(20)17-9-12-7-10-4-5-11(12)6-10/h1-5,8,10-12,19H,6-7,9H2,(H,17,20)(H,18,21)/t10-,11+,12-/m1/s1.
What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide?
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide has a molecular weight of 286.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide is sourced from PubChem (CID 51972824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).