N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C18H18N2O5 — CID 6619139

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-22-14-6-5-12(10-16(14)23-2)7-8-19-18(21)13-11-17(25-20-13)15-4-3-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyXFDXKGVNJKKJRK-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 6619139) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID6619139
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-22-14-6-5-12(10-16(14)23-2)7-8-19-18(21)13-11-17(25-20-13)15-4-3-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyXFDXKGVNJKKJRK-UHFFFAOYSA-N
XLogP2.92
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-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-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 6619139) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XFDXKGVNJKKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-22-14-6-5-12(10-16(14)23-2)7-8-19-18(21)13-11-17(25-20-13)15-4-3-9-24-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6619139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).