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

C25H29N3O5 — CID 135525405

IUPACN-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O5/c1-3-17-13-19(21(30)14-20(17)29)24-22(23(27-33-24)25(31)26-4-2)18-7-5-16(6-8-18)15-28-9-11-32-12-10-28/h5-8,13-14,29-30H,3-4,9-12,15H2,1-2H3,(H,26,31)
InChIKeyRNLVKRYMKWCANV-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.56
Rot. Bonds7

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

N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 135525405) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID135525405
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O5/c1-3-17-13-19(21(30)14-20(17)29)24-22(23(27-33-24)25(31)26-4-2)18-7-5-16(6-8-18)15-28-9-11-32-12-10-28/h5-8,13-14,29-30H,3-4,9-12,15H2,1-2H3,(H,26,31)
InChIKeyRNLVKRYMKWCANV-UHFFFAOYSA-N
XLogP3.56
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 135525405) is N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RNLVKRYMKWCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-3-17-13-19(21(30)14-20(17)29)24-22(23(27-33-24)25(31)26-4-2)18-7-5-16(6-8-18)15-28-9-11-32-12-10-28/h5-8,13-14,29-30H,3-4,9-12,15H2,1-2H3,(H,26,31).
What are the key properties of N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135525405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).