N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide

C18H17N3O4 — CID 146080882

IUPACN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1
InChIInChI=1S/C18H17N3O4/c1-11-16(12(2)25-21-11)15-9-8-14(24-15)10-19-17(22)18(23)20-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyCYBMYLREOPJQBT-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.81
Rot. Bonds4

About N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide

N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide (PubChem CID 146080882) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide
PubChem CID146080882
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1
InChIInChI=1S/C18H17N3O4/c1-11-16(12(2)25-21-11)15-9-8-14(24-15)10-19-17(22)18(23)20-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyCYBMYLREOPJQBT-UHFFFAOYSA-N
XLogP2.81
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide 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-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide?
The IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide (CID 146080882) is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide.
What is the SMILES notation for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide?
The canonical SMILES for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide is Cc1noc(C)c1-c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1.
What is the InChIKey of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide?
The InChIKey is CYBMYLREOPJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-16(12(2)25-21-11)15-9-8-14(24-15)10-19-17(22)18(23)20-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide?
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide has a molecular weight of 339.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide is sourced from PubChem (CID 146080882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).