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

C18H14N2O5 — CID 3685907

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)cc1
InChIInChI=1S/C18H14N2O5/c1-22-13-5-2-11(3-6-13)16-9-14(20-25-16)18(21)19-12-4-7-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21)
InChIKeyJCEZMAQXMAJFHT-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.33
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3685907) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3685907
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)cc1
InChIInChI=1S/C18H14N2O5/c1-22-13-5-2-11(3-6-13)16-9-14(20-25-16)18(21)19-12-4-7-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21)
InChIKeyJCEZMAQXMAJFHT-UHFFFAOYSA-N
XLogP3.33
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3685907) is N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JCEZMAQXMAJFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-22-13-5-2-11(3-6-13)16-9-14(20-25-16)18(21)19-12-4-7-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3685907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).