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

C13H13NO3 — CID 115086811

IUPAC1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(Cc2ccccc2O)o1
InChIInChI=1S/C13H13NO3/c1-9(15)6-11-8-14-13(17-11)7-10-4-2-3-5-12(10)16/h2-5,8,16H,6-7H2,1H3
InChIKeyGKYSNWSHFPVTDE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.10
Rot. Bonds4

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

1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one (PubChem CID 115086811) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
PubChem CID115086811
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(Cc2ccccc2O)o1
InChIInChI=1S/C13H13NO3/c1-9(15)6-11-8-14-13(17-11)7-10-4-2-3-5-12(10)16/h2-5,8,16H,6-7H2,1H3
InChIKeyGKYSNWSHFPVTDE-UHFFFAOYSA-N
XLogP2.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
CID 115086676
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086783
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
2-[[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115086774
[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086764
[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
CID 115087344
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086873
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-[2-(2,2-dimethylpropyl)-1,3-oxazol-5-yl]acetic acid
CID 115087051
2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 82378595

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one (CID 115086811) is 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one is CC(=O)Cc1cnc(Cc2ccccc2O)o1.
What is the InChIKey of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one?
The InChIKey is GKYSNWSHFPVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(15)6-11-8-14-13(17-11)7-10-4-2-3-5-12(10)16/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one?
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.10, 4 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]propan-2-one is sourced from PubChem (CID 115086811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).