4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol

C20H21NO4 — CID 23147391

IUPAC4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1CO
InChIInChI=1S/C20H21NO4/c1-2-14-15(8-9-19-16(11-22)21-12-25-19)20(18(24)10-17(14)23)13-6-4-3-5-7-13/h3-7,10,12,22-24H,2,8-9,11H2,1H3
InChIKeyNBKNWTFOUUNVGM-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.59
Rot. Bonds6

About 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol

4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol (PubChem CID 23147391) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol
PubChem CID23147391
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1CO
InChIInChI=1S/C20H21NO4/c1-2-14-15(8-9-19-16(11-22)21-12-25-19)20(18(24)10-17(14)23)13-6-4-3-5-7-13/h3-7,10,12,22-24H,2,8-9,11H2,1H3
InChIKeyNBKNWTFOUUNVGM-UHFFFAOYSA-N
XLogP3.59
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N,N-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
CID 11154903
5-[2-[2-Ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxylic acid
CID 23146947
4-Ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol
CID 23147108
(5-{2-[2-Ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl}-1,3-oxazol-4-yl)methanol
CID 23147113
Methyl 5-[(2-ethyl-3,5-dihydroxy-6-phenylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 23147127
[5-[[2-Ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol
CID 23147296
5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
CID 23147335
N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 23147361
5-[2-(2-Ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid
CID 23147475
Methyl 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxylate
CID 23147507
5-[2-(2-Ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 23147544
N-(1,3-dihydroxypropan-2-yl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 23147577

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol?
The IUPAC name of 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol (CID 23147391) is 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol is CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1CO.
What is the InChIKey of 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol?
The InChIKey is NBKNWTFOUUNVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-14-15(8-9-19-16(11-22)21-12-25-19)20(18(24)10-17(14)23)13-6-4-3-5-7-13/h3-7,10,12,22-24H,2,8-9,11H2,1H3.
What are the key properties of 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol?
4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol has a molecular weight of 339.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol is sourced from PubChem (CID 23147391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).