N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C26H31N3O5 — CID 135749951

IUPACN-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(O)cc2OC)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H31N3O5/c1-4-18-14-20(22(32-3)15-21(18)30)25-23(24(28-34-25)26(31)27-5-2)19-8-6-17(7-9-19)16-29-10-12-33-13-11-29/h6-9,14-15,30H,4-5,10-13,16H2,1-3H3,(H,27,31)
InChIKeyJQMGJSXGRAGDCL-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.87
Rot. Bonds8

About N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 135749951) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID135749951
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(O)cc2OC)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H31N3O5/c1-4-18-14-20(22(32-3)15-21(18)30)25-23(24(28-34-25)26(31)27-5-2)19-8-6-17(7-9-19)16-29-10-12-33-13-11-29/h6-9,14-15,30H,4-5,10-13,16H2,1-3H3,(H,27,31)
InChIKeyJQMGJSXGRAGDCL-UHFFFAOYSA-N
XLogP3.87
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 135749951) is N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(CC)c(O)cc2OC)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JQMGJSXGRAGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-4-18-14-20(22(32-3)15-21(18)30)25-23(24(28-34-25)26(31)27-5-2)19-8-6-17(7-9-19)16-29-10-12-33-13-11-29/h6-9,14-15,30H,4-5,10-13,16H2,1-3H3,(H,27,31).
What are the key properties of N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-ethyl-4-hydroxy-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135749951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).