4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol

C18H17NO4 — CID 135483631

IUPAC4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol
SMILESCCc1cc(-c2oncc2-c2ccc(O)cc2)c(O)cc1OC
InChIInChI=1S/C18H17NO4/c1-3-11-8-14(16(21)9-17(11)22-2)18-15(10-19-23-18)12-4-6-13(20)7-5-12/h4-10,20-21H,3H2,1-2H3
InChIKeyIXWFTPALIKTDEX-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.99
Rot. Bonds4

About 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol

4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol (PubChem CID 135483631) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol.

Molecular Properties

Compound Name4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol
PubChem CID135483631
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol
SMILESCCc1cc(-c2oncc2-c2ccc(O)cc2)c(O)cc1OC
InChIInChI=1S/C18H17NO4/c1-3-11-8-14(16(21)9-17(11)22-2)18-15(10-19-23-18)12-4-6-13(20)7-5-12/h4-10,20-21H,3H2,1-2H3
InChIKeyIXWFTPALIKTDEX-UHFFFAOYSA-N
XLogP3.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
The IUPAC name of 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol (CID 135483631) is 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol.
What is the SMILES notation for 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
The canonical SMILES for 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol is CCc1cc(-c2oncc2-c2ccc(O)cc2)c(O)cc1OC.
What is the InChIKey of 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
The InChIKey is IXWFTPALIKTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-11-8-14(16(21)9-17(11)22-2)18-15(10-19-23-18)12-4-6-13(20)7-5-12/h4-10,20-21H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol has a molecular weight of 311.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol is sourced from PubChem (CID 135483631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).