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

C27H33N3O5 — CID 24768322

IUPACN-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(OC)cc2OC)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H33N3O5/c1-5-19-15-21(23(33-4)16-22(19)32-3)26-24(25(29-35-26)27(31)28-6-2)20-9-7-18(8-10-20)17-30-11-13-34-14-12-30/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,28,31)
InChIKeyQYUJMZDXFKTDAQ-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.17
Rot. Bonds9

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

N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 24768322) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID24768322
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC NameN-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(OC)cc2OC)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H33N3O5/c1-5-19-15-21(23(33-4)16-22(19)32-3)26-24(25(29-35-26)27(31)28-6-2)20-9-7-18(8-10-20)17-30-11-13-34-14-12-30/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,28,31)
InChIKeyQYUJMZDXFKTDAQ-UHFFFAOYSA-N
XLogP4.17
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 24768322) is N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(CC)c(OC)cc2OC)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QYUJMZDXFKTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-5-19-15-21(23(33-4)16-22(19)32-3)26-24(25(29-35-26)27(31)28-6-2)20-9-7-18(8-10-20)17-30-11-13-34-14-12-30/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,28,31).
What are the key properties of N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24768322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).