2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol

C19H20N2O4 — CID 952905

IUPAC2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2onc(N)c2-c2ccc(OC)cc2)c(O)cc1OC
InChIInChI=1S/C19H20N2O4/c1-4-11-9-14(15(22)10-16(11)24-3)18-17(19(20)21-25-18)12-5-7-13(23-2)8-6-12/h5-10,22H,4H2,1-3H3,(H2,20,21)
InChIKeyWEJXFYDDOKVSJK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.88
Rot. Bonds5

About 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol

2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol (PubChem CID 952905) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
PubChem CID952905
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(-c2onc(N)c2-c2ccc(OC)cc2)c(O)cc1OC
InChIInChI=1S/C19H20N2O4/c1-4-11-9-14(15(22)10-16(11)24-3)18-17(19(20)21-25-18)12-5-7-13(23-2)8-6-12/h5-10,22H,4H2,1-3H3,(H2,20,21)
InChIKeyWEJXFYDDOKVSJK-UHFFFAOYSA-N
XLogP3.88
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol (CID 952905) is 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol is CCc1cc(-c2onc(N)c2-c2ccc(OC)cc2)c(O)cc1OC.
What is the InChIKey of 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
The InChIKey is WEJXFYDDOKVSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-11-9-14(15(22)10-16(11)24-3)18-17(19(20)21-25-18)12-5-7-13(23-2)8-6-12/h5-10,22H,4H2,1-3H3,(H2,20,21).
What are the key properties of 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol?
2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol has a molecular weight of 340.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 952905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).