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

C11H8N2O4 — CID 3146119

IUPAC3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C11H8N2O4/c12-11(14)10-4-7(13-17-10)6-1-2-8-9(3-6)16-5-15-8/h1-4H,5H2,(H2,12,14)
InChIKeyOGZSBMJSVNFNOP-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.17
Rot. Bonds2

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

3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 3146119) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID3146119
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C11H8N2O4/c12-11(14)10-4-7(13-17-10)6-1-2-8-9(3-6)16-5-15-8/h1-4H,5H2,(H2,12,14)
InChIKeyOGZSBMJSVNFNOP-UHFFFAOYSA-N
XLogP1.17
TPSA87.58 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 90202510
3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide
CID 101339333
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 22548193
1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium
CID 7357343
N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 46471021
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174003
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 17096062
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
6-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 58872710
2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]acetic acid
CID 82483287
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide (CID 3146119) is 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide is NC(=O)c1cc(-c2ccc3c(c2)OCO3)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is OGZSBMJSVNFNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c12-11(14)10-4-7(13-17-10)6-1-2-8-9(3-6)16-5-15-8/h1-4H,5H2,(H2,12,14).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 232.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3146119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).