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

C6H9NO3 — CID 166067120

IUPAC4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one
SMILESCC1=NC(CCO)C(=O)O1
InChIInChI=1S/C6H9NO3/c1-4-7-5(2-3-8)6(9)10-4/h5,8H,2-3H2,1H3
InChIKeyXENCYKGHXUHYQL-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.29
Rot. Bonds2

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

4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one (PubChem CID 166067120) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one
PubChem CID166067120
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one
SMILESCC1=NC(CCO)C(=O)O1
InChIInChI=1S/C6H9NO3/c1-4-7-5(2-3-8)6(9)10-4/h5,8H,2-3H2,1H3
InChIKeyXENCYKGHXUHYQL-UHFFFAOYSA-N
XLogP-0.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one (CID 166067120) is 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one is CC1=NC(CCO)C(=O)O1.
What is the InChIKey of 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one?
The InChIKey is XENCYKGHXUHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-7-5(2-3-8)6(9)10-4/h5,8H,2-3H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one?
4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one has a molecular weight of 143.14 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 166067120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).