1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone

C15H17NO4 — CID 136999817

IUPAC1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccc(O)c(OCC(C)C)c2)n1
InChIInChI=1S/C15H17NO4/c1-9(2)7-19-14-6-11(4-5-13(14)18)15-16-12(8-20-15)10(3)17/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYIVSHYCSHOHKLJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone

1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone (PubChem CID 136999817) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
PubChem CID136999817
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccc(O)c(OCC(C)C)c2)n1
InChIInChI=1S/C15H17NO4/c1-9(2)7-19-14-6-11(4-5-13(14)18)15-16-12(8-20-15)10(3)17/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYIVSHYCSHOHKLJ-UHFFFAOYSA-N
XLogP3.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone (CID 136999817) is 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(-c2ccc(O)c(OCC(C)C)c2)n1.
What is the InChIKey of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The InChIKey is YIVSHYCSHOHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)7-19-14-6-11(4-5-13(14)18)15-16-12(8-20-15)10(3)17/h4-6,8-9,18H,7H2,1-3H3.
What are the key properties of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone has a molecular weight of 275.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 136999817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).