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

C20H20ClN3O4 — CID 24794245

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1
InChIInChI=1S/C20H20ClN3O4/c1-3-24(12-14-6-8-22-9-7-14)20(25)18-11-16(28-23-18)13-27-19-5-4-15(26-2)10-17(19)21/h4-11H,3,12-13H2,1-2H3
InChIKeyNKZSLLXKWAPBIY-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.97
Rot. Bonds8

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24794245) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24794245
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1
InChIInChI=1S/C20H20ClN3O4/c1-3-24(12-14-6-8-22-9-7-14)20(25)18-11-16(28-23-18)13-27-19-5-4-15(26-2)10-17(19)21/h4-11H,3,12-13H2,1-2H3
InChIKeyNKZSLLXKWAPBIY-UHFFFAOYSA-N
XLogP3.97
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24794245) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NKZSLLXKWAPBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-3-24(12-14-6-8-22-9-7-14)20(25)18-11-16(28-23-18)13-27-19-5-4-15(26-2)10-17(19)21/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).