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

C20H21N3O3 — CID 24792008

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-14-7-8-15(2)19(10-14)25-13-17-11-18(22-26-17)20(24)23(3)12-16-6-4-5-9-21-16/h4-11H,12-13H2,1-3H3
InChIKeyFHOFMPOZHAPQSR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.54
Rot. Bonds6

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

5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24792008) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24792008
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-14-7-8-15(2)19(10-14)25-13-17-11-18(22-26-17)20(24)23(3)12-16-6-4-5-9-21-16/h4-11H,12-13H2,1-3H3
InChIKeyFHOFMPOZHAPQSR-UHFFFAOYSA-N
XLogP3.54
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24792008) is 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FHOFMPOZHAPQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-8-15(2)19(10-14)25-13-17-11-18(22-26-17)20(24)23(3)12-16-6-4-5-9-21-16/h4-11H,12-13H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24792008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).