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

C20H20N2O4 — CID 23147544

IUPAC5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(N)=O
InChIInChI=1S/C20H20N2O4/c1-2-13-14(8-9-17-19(20(21)25)22-11-26-17)18(16(24)10-15(13)23)12-6-4-3-5-7-12/h3-7,10-11,23-24H,2,8-9H2,1H3,(H2,21,25)
InChIKeyIHGQYVWNYRYRKX-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.20
Rot. Bonds6

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

5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 23147544) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID23147544
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(N)=O
InChIInChI=1S/C20H20N2O4/c1-2-13-14(8-9-17-19(20(21)25)22-11-26-17)18(16(24)10-15(13)23)12-6-4-3-5-7-12/h3-7,10-11,23-24H,2,8-9H2,1H3,(H2,21,25)
InChIKeyIHGQYVWNYRYRKX-UHFFFAOYSA-N
XLogP3.20
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.20
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-carboxamide?
The IUPAC name of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 23147544) is 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide is CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(N)=O.
What is the InChIKey of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IHGQYVWNYRYRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-13-14(8-9-17-19(20(21)25)22-11-26-17)18(16(24)10-15(13)23)12-6-4-3-5-7-12/h3-7,10-11,23-24H,2,8-9H2,1H3,(H2,21,25).
What are the key properties of 5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.20, 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-carboxamide is sourced from PubChem (CID 23147544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).