N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide

C13H16N4O2 — CID 51049383

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide
SMILESO=C(NCC1CC2C=CC1C2)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H16N4O2/c18-12(13(19)16-11-3-4-15-17-11)14-7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7H2,(H,14,18)(H2,15,16,17,19)
InChIKeyYKBXXUSMICGYEE-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.68
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide (PubChem CID 51049383) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide
PubChem CID51049383
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide
SMILESO=C(NCC1CC2C=CC1C2)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H16N4O2/c18-12(13(19)16-11-3-4-15-17-11)14-7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7H2,(H,14,18)(H2,15,16,17,19)
InChIKeyYKBXXUSMICGYEE-UHFFFAOYSA-N
XLogP0.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.68
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide (CID 51049383) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide is O=C(NCC1CC2C=CC1C2)C(=O)Nc1ccn[nH]1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide?
The InChIKey is YKBXXUSMICGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(13(19)16-11-3-4-15-17-11)14-7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7H2,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide has a molecular weight of 260.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-(1H-pyrazol-5-yl)oxamide is sourced from PubChem (CID 51049383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).