N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide

C21H18N4O3 — CID 166196221

IUPACN-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide
SMILESCN(CCc1cnccn1)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H18N4O3/c1-25(11-8-15-13-22-9-10-23-15)21(27)20(26)24-14-6-7-17-16-4-2-3-5-18(16)28-19(17)12-14/h2-7,9-10,12-13H,8,11H2,1H3,(H,24,26)
InChIKeyRSDAJWLGJQCVGO-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.02
Rot. Bonds4

About N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide

N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide (PubChem CID 166196221) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide
PubChem CID166196221
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide
SMILESCN(CCc1cnccn1)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H18N4O3/c1-25(11-8-15-13-22-9-10-23-15)21(27)20(26)24-14-6-7-17-16-4-2-3-5-18(16)28-19(17)12-14/h2-7,9-10,12-13H,8,11H2,1H3,(H,24,26)
InChIKeyRSDAJWLGJQCVGO-UHFFFAOYSA-N
XLogP3.02
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71991144
1-dibenzofuran-3-yl-3-(5-pyrazin-2-yl-1H-pyrazol-4-yl)urea
CID 166372903
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
CID 75475921
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide
CID 166372900
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N-dibenzofuran-3-yl-3-(2-fluorophenyl)propanamide
CID 100553789
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide?
The IUPAC name of N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide (CID 166196221) is N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide.
What is the SMILES notation for N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide?
The canonical SMILES for N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide is CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide?
The InChIKey is RSDAJWLGJQCVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-25(11-8-15-13-22-9-10-23-15)21(27)20(26)24-14-6-7-17-16-4-2-3-5-18(16)28-19(17)12-14/h2-7,9-10,12-13H,8,11H2,1H3,(H,24,26).
What are the key properties of N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide?
N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide has a molecular weight of 374.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide is sourced from PubChem (CID 166196221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).