5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid

C20H19NO5 — CID 23147475

IUPAC5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)O
InChIInChI=1S/C20H19NO5/c1-2-13-14(8-9-17-19(20(24)25)21-11-26-17)18(16(23)10-15(13)22)12-6-4-3-5-7-12/h3-7,10-11,22-23H,2,8-9H2,1H3,(H,24,25)
InChIKeyHBNLBPYTSNOUOW-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.80
Rot. Bonds6

About 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid

5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 23147475) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid
PubChem CID23147475
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)O
InChIInChI=1S/C20H19NO5/c1-2-13-14(8-9-17-19(20(24)25)21-11-26-17)18(16(23)10-15(13)22)12-6-4-3-5-7-12/h3-7,10-11,22-23H,2,8-9H2,1H3,(H,24,25)
InChIKeyHBNLBPYTSNOUOW-UHFFFAOYSA-N
XLogP3.80
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid (CID 23147475) is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid is CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)O.
What is the InChIKey of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is HBNLBPYTSNOUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-13-14(8-9-17-19(20(24)25)21-11-26-17)18(16(23)10-15(13)22)12-6-4-3-5-7-12/h3-7,10-11,22-23H,2,8-9H2,1H3,(H,24,25).
What are the key properties of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid?
5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 23147475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).