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

C20H26N2O4 — CID 24794137

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)CC3CCOCC3)no2)cc1C
InChIInChI=1S/C20H26N2O4/c1-14-4-5-17(10-15(14)2)25-13-18-11-19(21-26-18)20(23)22(3)12-16-6-8-24-9-7-16/h4-5,10-11,16H,6-9,12-13H2,1-3H3
InChIKeyCPFFNBBHIQYZGP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.37
Rot. Bonds6

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

5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24794137) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24794137
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)CC3CCOCC3)no2)cc1C
InChIInChI=1S/C20H26N2O4/c1-14-4-5-17(10-15(14)2)25-13-18-11-19(21-26-18)20(23)22(3)12-16-6-8-24-9-7-16/h4-5,10-11,16H,6-9,12-13H2,1-3H3
InChIKeyCPFFNBBHIQYZGP-UHFFFAOYSA-N
XLogP3.37
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-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-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24794137) is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)N(C)CC3CCOCC3)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CPFFNBBHIQYZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-4-5-17(10-15(14)2)25-13-18-11-19(21-26-18)20(23)22(3)12-16-6-8-24-9-7-16/h4-5,10-11,16H,6-9,12-13H2,1-3H3.
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).