4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one

C9H10N2O3 — CID 91450949

IUPAC4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one
SMILESO=c1occ(O)n1CCc1ccc[nH]1
InChIInChI=1S/C9H10N2O3/c12-8-6-14-9(13)11(8)5-3-7-2-1-4-10-7/h1-2,4,6,10,12H,3,5H2
InChIKeyJVNIRDWOLLXHCQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.72
Rot. Bonds3

About 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one

4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one (PubChem CID 91450949) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one
PubChem CID91450949
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one
SMILESO=c1occ(O)n1CCc1ccc[nH]1
InChIInChI=1S/C9H10N2O3/c12-8-6-14-9(13)11(8)5-3-7-2-1-4-10-7/h1-2,4,6,10,12H,3,5H2
InChIKeyJVNIRDWOLLXHCQ-UHFFFAOYSA-N
XLogP0.72
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one (CID 91450949) is 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one is O=c1occ(O)n1CCc1ccc[nH]1.
What is the InChIKey of 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one?
The InChIKey is JVNIRDWOLLXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-6-14-9(13)11(8)5-3-7-2-1-4-10-7/h1-2,4,6,10,12H,3,5H2.
What are the key properties of 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one?
4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one has a molecular weight of 194.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one is sourced from PubChem (CID 91450949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).