5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide

C22H24N2O5 — CID 23147335

IUPAC5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO
InChIInChI=1S/C22H24N2O5/c1-2-15-16(8-9-19-21(24-13-29-19)22(28)23-10-11-25)20(18(27)12-17(15)26)14-6-4-3-5-7-14/h3-7,12-13,25-27H,2,8-11H2,1H3,(H,23,28)
InChIKeyBQEDJKHKRJQXNO-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.82
Rot. Bonds8

About 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide

5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 23147335) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID23147335
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO
InChIInChI=1S/C22H24N2O5/c1-2-15-16(8-9-19-21(24-13-29-19)22(28)23-10-11-25)20(18(27)12-17(15)26)14-6-4-3-5-7-14/h3-7,12-13,25-27H,2,8-11H2,1H3,(H,23,28)
InChIKeyBQEDJKHKRJQXNO-UHFFFAOYSA-N
XLogP2.82
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (CID 23147335) is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO.
What is the InChIKey of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BQEDJKHKRJQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-15-16(8-9-19-21(24-13-29-19)22(28)23-10-11-25)20(18(27)12-17(15)26)14-6-4-3-5-7-14/h3-7,12-13,25-27H,2,8-11H2,1H3,(H,23,28).
What are the key properties of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23147335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).