5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

C21H23N3O3 — CID 24791169

IUPAC5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)N(C)CCc2ccccn2)no1
InChIInChI=1S/C21H23N3O3/c1-15-7-6-8-16(2)20(15)26-14-18-13-19(23-27-18)21(25)24(3)12-10-17-9-4-5-11-22-17/h4-9,11,13H,10,12,14H2,1-3H3
InChIKeyKIYWZDLMLLOERD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.58
Rot. Bonds7

About 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24791169) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24791169
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)N(C)CCc2ccccn2)no1
InChIInChI=1S/C21H23N3O3/c1-15-7-6-8-16(2)20(15)26-14-18-13-19(23-27-18)21(25)24(3)12-10-17-9-4-5-11-22-17/h4-9,11,13H,10,12,14H2,1-3H3
InChIKeyKIYWZDLMLLOERD-UHFFFAOYSA-N
XLogP3.58
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide (CID 24791169) is 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1OCc1cc(C(=O)N(C)CCc2ccccn2)no1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KIYWZDLMLLOERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-7-6-8-16(2)20(15)26-14-18-13-19(23-27-18)21(25)24(3)12-10-17-9-4-5-11-22-17/h4-9,11,13H,10,12,14H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).