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

C20H19N3O4 — CID 24791062

IUPAC5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)cc1
InChIInChI=1S/C20H19N3O4/c1-14(24)15-6-8-17(9-7-15)26-13-18-11-19(22-27-18)20(25)23(2)12-16-5-3-4-10-21-16/h3-11H,12-13H2,1-2H3
InChIKeySYEXAMXSSPZAKK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.12
Rot. Bonds7

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

5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24791062) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24791062
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)cc1
InChIInChI=1S/C20H19N3O4/c1-14(24)15-6-8-17(9-7-15)26-13-18-11-19(22-27-18)20(25)23(2)12-16-5-3-4-10-21-16/h3-11H,12-13H2,1-2H3
InChIKeySYEXAMXSSPZAKK-UHFFFAOYSA-N
XLogP3.12
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-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

Related Compounds

CID 42519285
CID 42519285
CID 3239565
CID 3239565
CID 16190148
CID 16190148
CID 5308862
CID 5308862
CID 24790866
CID 24790866
CID 54583107
CID 54583107
CID 87400677
CID 87400677
CID 2092236
CID 2092236
CID 2495025
CID 2495025
CID 3598619
CID 3598619
CID 4519032
CID 4519032
CID 4880121
CID 4880121

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24791062) is 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SYEXAMXSSPZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14(24)15-6-8-17(9-7-15)26-13-18-11-19(22-27-18)20(25)23(2)12-16-5-3-4-10-21-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).