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

C23H24ClN3O4 — CID 43045126

IUPAC5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCOCC2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-29-19-8-4-16(5-9-19)21(27-10-12-30-13-11-27)15-25-23(28)20-14-22(31-26-20)17-2-6-18(24)7-3-17/h2-9,14,21H,10-13,15H2,1H3,(H,25,28)
InChIKeyJXEOYUOTNHXNDL-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.81
Rot. Bonds7

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

5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 43045126) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
PubChem CID43045126
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCOCC2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-29-19-8-4-16(5-9-19)21(27-10-12-30-13-11-27)15-25-23(28)20-14-22(31-26-20)17-2-6-18(24)7-3-17/h2-9,14,21H,10-13,15H2,1H3,(H,25,28)
InChIKeyJXEOYUOTNHXNDL-UHFFFAOYSA-N
XLogP3.81
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide (CID 43045126) is 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCOCC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JXEOYUOTNHXNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-19-8-4-16(5-9-19)21(27-10-12-30-13-11-27)15-25-23(28)20-14-22(31-26-20)17-2-6-18(24)7-3-17/h2-9,14,21H,10-13,15H2,1H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43045126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).