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

C25H31N3O4 — CID 135404982

IUPAC4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C25H31N3O4/c1-5-17-13-19(21(30)14-20(17)29)24-22(23(27-32-24)25(31)26-6-2)18-11-9-16(10-12-18)15-28(7-3)8-4/h9-14,29-30H,5-8,15H2,1-4H3,(H,26,31)
InChIKeyLALDVGOZMSLLOR-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.57
Rot. Bonds9

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

4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 135404982) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID135404982
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C25H31N3O4/c1-5-17-13-19(21(30)14-20(17)29)24-22(23(27-32-24)25(31)26-6-2)18-11-9-16(10-12-18)15-28(7-3)8-4/h9-14,29-30H,5-8,15H2,1-4H3,(H,26,31)
InChIKeyLALDVGOZMSLLOR-UHFFFAOYSA-N
XLogP4.57
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 135404982) is 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1.
What is the InChIKey of 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LALDVGOZMSLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-17-13-19(21(30)14-20(17)29)24-22(23(27-32-24)25(31)26-6-2)18-11-9-16(10-12-18)15-28(7-3)8-4/h9-14,29-30H,5-8,15H2,1-4H3,(H,26,31).
What are the key properties of 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide?
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-(5-ethyl-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135404982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).