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

C24H28N2O6 — CID 11154903

IUPAC5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)N(CCO)CCO
InChIInChI=1S/C24H28N2O6/c1-2-17-18(22(20(30)14-19(17)29)16-6-4-3-5-7-16)8-9-21-23(25-15-32-21)24(31)26(10-12-27)11-13-28/h3-7,14-15,27-30H,2,8-13H2,1H3
InChIKeyDNPKJTPMGDIRIX-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.53
Rot. Bonds10

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

5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 11154903) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID11154903
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)N(CCO)CCO
InChIInChI=1S/C24H28N2O6/c1-2-17-18(22(20(30)14-19(17)29)16-6-4-3-5-7-16)8-9-21-23(25-15-32-21)24(31)26(10-12-27)11-13-28/h3-7,14-15,27-30H,2,8-13H2,1H3
InChIKeyDNPKJTPMGDIRIX-UHFFFAOYSA-N
XLogP2.53
TPSA127.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (CID 11154903) is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)N(CCO)CCO.
What is the InChIKey of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DNPKJTPMGDIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-2-17-18(22(20(30)14-19(17)29)16-6-4-3-5-7-16)8-9-21-23(25-15-32-21)24(31)26(10-12-27)11-13-28/h3-7,14-15,27-30H,2,8-13H2,1H3.
What are the key properties of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.53, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11154903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).