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

C17H12N2O5 — CID 17253021

IUPACN-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H12N2O5/c20-12-3-1-2-10(6-12)15-8-13(19-24-15)17(21)18-11-4-5-14-16(7-11)23-9-22-14/h1-8,20H,9H2,(H,18,21)
InChIKeyWAUMXBYYCYJFAB-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.03
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253021) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17253021
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H12N2O5/c20-12-3-1-2-10(6-12)15-8-13(19-24-15)17(21)18-11-4-5-14-16(7-11)23-9-22-14/h1-8,20H,9H2,(H,18,21)
InChIKeyWAUMXBYYCYJFAB-UHFFFAOYSA-N
XLogP3.03
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 17253021) is N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WAUMXBYYCYJFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-12-3-1-2-10(6-12)15-8-13(19-24-15)17(21)18-11-4-5-14-16(7-11)23-9-22-14/h1-8,20H,9H2,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).