1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol

C9H14N2O2 — CID 115085656

IUPAC1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
SMILESCC(O)c1cnc(C2CCCN2)o1
InChIInChI=1S/C9H14N2O2/c1-6(12)8-5-11-9(13-8)7-3-2-4-10-7/h5-7,10,12H,2-4H2,1H3
InChIKeyWFWDTYKBZWIXSH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.15
Rot. Bonds2

About 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol

1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol (PubChem CID 115085656) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
PubChem CID115085656
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
SMILESCC(O)c1cnc(C2CCCN2)o1
InChIInChI=1S/C9H14N2O2/c1-6(12)8-5-11-9(13-8)7-3-2-4-10-7/h5-7,10,12H,2-4H2,1H3
InChIKeyWFWDTYKBZWIXSH-UHFFFAOYSA-N
XLogP1.15
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol?
The IUPAC name of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol (CID 115085656) is 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol?
The canonical SMILES for 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol is CC(O)c1cnc(C2CCCN2)o1.
What is the InChIKey of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol?
The InChIKey is WFWDTYKBZWIXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)8-5-11-9(13-8)7-3-2-4-10-7/h5-7,10,12H,2-4H2,1H3.
What are the key properties of 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol?
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol has a molecular weight of 182.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol is sourced from PubChem (CID 115085656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).