1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone

C12H11NO3 — CID 115086783

IUPAC1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2ccccc2O)o1
InChIInChI=1S/C12H11NO3/c1-8(14)11-7-13-12(16-11)6-9-4-2-3-5-10(9)15/h2-5,7,15H,6H2,1H3
InChIKeyMCGDXWHDTSYTHS-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone

1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone (PubChem CID 115086783) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
PubChem CID115086783
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2ccccc2O)o1
InChIInChI=1S/C12H11NO3/c1-8(14)11-7-13-12(16-11)6-9-4-2-3-5-10(9)15/h2-5,7,15H,6H2,1H3
InChIKeyMCGDXWHDTSYTHS-UHFFFAOYSA-N
XLogP2.17
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone (CID 115086783) is 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone is CC(=O)c1cnc(Cc2ccccc2O)o1.
What is the InChIKey of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone?
The InChIKey is MCGDXWHDTSYTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(14)11-7-13-12(16-11)6-9-4-2-3-5-10(9)15/h2-5,7,15H,6H2,1H3.
What are the key properties of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone?
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone has a molecular weight of 217.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 115086783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).