5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C23H20N4O4 — CID 3243917

IUPAC5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C23H20N4O4/c1-14-22(15(2)27(25-14)12-16-6-4-3-5-7-16)24-23(28)18-11-20(31-26-18)17-8-9-19-21(10-17)30-13-29-19/h3-11H,12-13H2,1-2H3,(H,24,28)
InChIKeyOVENRHKNLKPBCP-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.18
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3243917) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID3243917
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C23H20N4O4/c1-14-22(15(2)27(25-14)12-16-6-4-3-5-7-16)24-23(28)18-11-20(31-26-18)17-8-9-19-21(10-17)30-13-29-19/h3-11H,12-13H2,1-2H3,(H,24,28)
InChIKeyOVENRHKNLKPBCP-UHFFFAOYSA-N
XLogP4.18
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 3243917) is 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OVENRHKNLKPBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14-22(15(2)27(25-14)12-16-6-4-3-5-7-16)24-23(28)18-11-20(31-26-18)17-8-9-19-21(10-17)30-13-29-19/h3-11H,12-13H2,1-2H3,(H,24,28).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).