5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one

C11H11NO3 — CID 122647670

IUPAC5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one
SMILESO=c1cc(Cc2ccc(CO)cc2)o[nH]1
InChIInChI=1S/C11H11NO3/c13-7-9-3-1-8(2-4-9)5-10-6-11(14)12-15-10/h1-4,6,13H,5,7H2,(H,12,14)
InChIKeyDHFGULJJFKMBIK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.05
Rot. Bonds3

About 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one

5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one (PubChem CID 122647670) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one
PubChem CID122647670
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one
SMILESO=c1cc(Cc2ccc(CO)cc2)o[nH]1
InChIInChI=1S/C11H11NO3/c13-7-9-3-1-8(2-4-9)5-10-6-11(14)12-15-10/h1-4,6,13H,5,7H2,(H,12,14)
InChIKeyDHFGULJJFKMBIK-UHFFFAOYSA-N
XLogP1.05
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one (CID 122647670) is 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one is O=c1cc(Cc2ccc(CO)cc2)o[nH]1.
What is the InChIKey of 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one?
The InChIKey is DHFGULJJFKMBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-7-9-3-1-8(2-4-9)5-10-6-11(14)12-15-10/h1-4,6,13H,5,7H2,(H,12,14).
What are the key properties of 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one?
5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one has a molecular weight of 205.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 122647670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).