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

C5H7NO3 — CID 151879178

IUPAC5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(CCO)o1
InChIInChI=1S/C5H7NO3/c7-2-1-4-3-6-5(8)9-4/h3,7H,1-2H2,(H,6,8)
InChIKeySOIPFYNRYDQQAY-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.50
Rot. Bonds2

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

5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one (PubChem CID 151879178) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one
PubChem CID151879178
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(CCO)o1
InChIInChI=1S/C5H7NO3/c7-2-1-4-3-6-5(8)9-4/h3,7H,1-2H2,(H,6,8)
InChIKeySOIPFYNRYDQQAY-UHFFFAOYSA-N
XLogP-0.50
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one (CID 151879178) is 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one is O=c1[nH]cc(CCO)o1.
What is the InChIKey of 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one?
The InChIKey is SOIPFYNRYDQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-2-1-4-3-6-5(8)9-4/h3,7H,1-2H2,(H,6,8).
What are the key properties of 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one?
5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one has a molecular weight of 129.11 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 151879178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).