5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

C21H16N4O4 — CID 3239065

IUPAC5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)n(-c2ccccc2)n1
InChIInChI=1S/C21H16N4O4/c1-13-9-20(25(23-13)15-5-3-2-4-6-15)22-21(26)16-11-18(29-24-16)14-7-8-17-19(10-14)28-12-27-17/h2-11H,12H2,1H3,(H,22,26)
InChIKeyCUHDHHALNPPZAQ-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.82
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3239065) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID3239065
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)n(-c2ccccc2)n1
InChIInChI=1S/C21H16N4O4/c1-13-9-20(25(23-13)15-5-3-2-4-6-15)22-21(26)16-11-18(29-24-16)14-7-8-17-19(10-14)28-12-27-17/h2-11H,12H2,1H3,(H,22,26)
InChIKeyCUHDHHALNPPZAQ-UHFFFAOYSA-N
XLogP3.82
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.82
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-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 3239065) is 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is CUHDHHALNPPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c1-13-9-20(25(23-13)15-5-3-2-4-6-15)22-21(26)16-11-18(29-24-16)14-7-8-17-19(10-14)28-12-27-17/h2-11H,12H2,1H3,(H,22,26).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.38 g/mol, XLogP of 3.82, 4 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-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3239065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).