3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol

C10H14N2O2 — CID 126554500

IUPAC3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol
SMILESCCC1NNC(c2cccc(O)c2)O1
InChIInChI=1S/C10H14N2O2/c1-2-9-11-12-10(14-9)7-4-3-5-8(13)6-7/h3-6,9-13H,2H2,1H3
InChIKeyPJMQXAYQDXXZID-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.25
Rot. Bonds2

About 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol

3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol (PubChem CID 126554500) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol
PubChem CID126554500
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol
SMILESCCC1NNC(c2cccc(O)c2)O1
InChIInChI=1S/C10H14N2O2/c1-2-9-11-12-10(14-9)7-4-3-5-8(13)6-7/h3-6,9-13H,2H2,1H3
InChIKeyPJMQXAYQDXXZID-UHFFFAOYSA-N
XLogP1.25
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol (CID 126554500) is 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol is CCC1NNC(c2cccc(O)c2)O1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol?
The InChIKey is PJMQXAYQDXXZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-9-11-12-10(14-9)7-4-3-5-8(13)6-7/h3-6,9-13H,2H2,1H3.
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol?
3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol has a molecular weight of 194.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazolidin-2-yl)phenol is sourced from PubChem (CID 126554500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).