2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol

C11H18N2O2 — CID 115085223

IUPAC2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
SMILESCN1CCC(Cc2ncc(CCO)o2)C1
InChIInChI=1S/C11H18N2O2/c1-13-4-2-9(8-13)6-11-12-7-10(15-11)3-5-14/h7,9,14H,2-6,8H2,1H3
InChIKeyYEKBHIONBYXBSI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds4

About 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol

2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol (PubChem CID 115085223) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
PubChem CID115085223
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
SMILESCN1CCC(Cc2ncc(CCO)o2)C1
InChIInChI=1S/C11H18N2O2/c1-13-4-2-9(8-13)6-11-12-7-10(15-11)3-5-14/h7,9,14H,2-6,8H2,1H3
InChIKeyYEKBHIONBYXBSI-UHFFFAOYSA-N
XLogP0.70
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol (CID 115085223) is 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol is CN1CCC(Cc2ncc(CCO)o2)C1.
What is the InChIKey of 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol?
The InChIKey is YEKBHIONBYXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-4-2-9(8-13)6-11-12-7-10(15-11)3-5-14/h7,9,14H,2-6,8H2,1H3.
What are the key properties of 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol?
2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115085223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).