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

C11H8N2O4 — CID 96596349

IUPACN-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnco1
InChIInChI=1S/C11H8N2O4/c14-11(10-4-12-5-15-10)13-7-1-2-8-9(3-7)17-6-16-8/h1-5H,6H2,(H,13,14)
InChIKeyVTHPDDWIBVQXCY-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.66
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 96596349) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID96596349
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnco1
InChIInChI=1S/C11H8N2O4/c14-11(10-4-12-5-15-10)13-7-1-2-8-9(3-7)17-6-16-8/h1-5H,6H2,(H,13,14)
InChIKeyVTHPDDWIBVQXCY-UHFFFAOYSA-N
XLogP1.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104606905
N-(3-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 96596303
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230
N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide
CID 122482945
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide (CID 96596349) is N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnco1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is VTHPDDWIBVQXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-11(10-4-12-5-15-10)13-7-1-2-8-9(3-7)17-6-16-8/h1-5H,6H2,(H,13,14).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 232.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 96596349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).