5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C21H22ClN3O3 — CID 43843573

IUPAC5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)cc1
InChIInChI=1S/C21H22ClN3O3/c1-25(2)19(14-6-10-17(27-3)11-7-14)13-23-21(26)18-12-20(28-24-18)15-4-8-16(22)9-5-15/h4-12,19H,13H2,1-3H3,(H,23,26)
InChIKeyABUOYKGUDWOJQM-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.04
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 43843573) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID43843573
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)cc1
InChIInChI=1S/C21H22ClN3O3/c1-25(2)19(14-6-10-17(27-3)11-7-14)13-23-21(26)18-12-20(28-24-18)15-4-8-16(22)9-5-15/h4-12,19H,13H2,1-3H3,(H,23,26)
InChIKeyABUOYKGUDWOJQM-UHFFFAOYSA-N
XLogP4.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 43843573) is 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ABUOYKGUDWOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-25(2)19(14-6-10-17(27-3)11-7-14)13-23-21(26)18-12-20(28-24-18)15-4-8-16(22)9-5-15/h4-12,19H,13H2,1-3H3,(H,23,26).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43843573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).