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

C10H16N2O2 — CID 124641799

IUPAC2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol
SMILESCN1CC[C@@H](c2cc(CCO)on2)C1
InChIInChI=1S/C10H16N2O2/c1-12-4-2-8(7-12)10-6-9(3-5-13)14-11-10/h6,8,13H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyHGKIDVFKNQUMFJ-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds3

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

2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol (PubChem CID 124641799) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol
PubChem CID124641799
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol
SMILESCN1CC[C@@H](c2cc(CCO)on2)C1
InChIInChI=1S/C10H16N2O2/c1-12-4-2-8(7-12)10-6-9(3-5-13)14-11-10/h6,8,13H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyHGKIDVFKNQUMFJ-MRVPVSSYSA-N
XLogP0.63
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol (CID 124641799) is 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol is CN1CC[C@@H](c2cc(CCO)on2)C1.
What is the InChIKey of 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol?
The InChIKey is HGKIDVFKNQUMFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-4-2-8(7-12)10-6-9(3-5-13)14-11-10/h6,8,13H,2-5,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol?
2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol has a molecular weight of 196.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 124641799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).