5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

C17H20N2O4 — CID 24791199

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NC3CCOC3)no2)cc1C
InChIInChI=1S/C17H20N2O4/c1-11-3-4-14(7-12(11)2)22-10-15-8-16(19-23-15)17(20)18-13-5-6-21-9-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyZMWGAWIPZOXFAY-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.39
Rot. Bonds5

About 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24791199) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID24791199
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NC3CCOC3)no2)cc1C
InChIInChI=1S/C17H20N2O4/c1-11-3-4-14(7-12(11)2)22-10-15-8-16(19-23-15)17(20)18-13-5-6-21-9-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyZMWGAWIPZOXFAY-UHFFFAOYSA-N
XLogP2.39
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-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 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (CID 24791199) is 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NC3CCOC3)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZMWGAWIPZOXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-3-4-14(7-12(11)2)22-10-15-8-16(19-23-15)17(20)18-13-5-6-21-9-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).