4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one

C10H9NO3 — CID 105444696

IUPAC4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
SMILESCc1oc(=O)[nH]c1-c1ccccc1O
InChIInChI=1S/C10H9NO3/c1-6-9(11-10(13)14-6)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,11,13)
InChIKeyGJGADXUNXKBYFQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.65
Rot. Bonds1

About 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one

4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one (PubChem CID 105444696) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
PubChem CID105444696
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
SMILESCc1oc(=O)[nH]c1-c1ccccc1O
InChIInChI=1S/C10H9NO3/c1-6-9(11-10(13)14-6)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,11,13)
InChIKeyGJGADXUNXKBYFQ-UHFFFAOYSA-N
XLogP1.65
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one (CID 105444696) is 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one is Cc1oc(=O)[nH]c1-c1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
The InChIKey is GJGADXUNXKBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-9(11-10(13)14-6)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,11,13).
What are the key properties of 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105444696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).