5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole

C14H17NO3 — CID 169499042

IUPAC5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole
SMILESCCOc1ccc(-c2cc(C)no2)c(OCC)c1
InChIInChI=1S/C14H17NO3/c1-4-16-11-6-7-12(13(9-11)17-5-2)14-8-10(3)15-18-14/h6-9H,4-5H2,1-3H3
InChIKeyNPEFPCOWKZPQHN-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.45
Rot. Bonds5

About 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole

5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole (PubChem CID 169499042) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole
PubChem CID169499042
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole
SMILESCCOc1ccc(-c2cc(C)no2)c(OCC)c1
InChIInChI=1S/C14H17NO3/c1-4-16-11-6-7-12(13(9-11)17-5-2)14-8-10(3)15-18-14/h6-9H,4-5H2,1-3H3
InChIKeyNPEFPCOWKZPQHN-UHFFFAOYSA-N
XLogP3.45
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole (CID 169499042) is 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole is CCOc1ccc(-c2cc(C)no2)c(OCC)c1.
What is the InChIKey of 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole?
The InChIKey is NPEFPCOWKZPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-16-11-6-7-12(13(9-11)17-5-2)14-8-10(3)15-18-14/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole?
5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole has a molecular weight of 247.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 169499042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).