2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol

C13H22N2O2 — CID 115082307

IUPAC2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
SMILESCC(C)N1CCC(Cc2nc(CCO)co2)C1
InChIInChI=1S/C13H22N2O2/c1-10(2)15-5-3-11(8-15)7-13-14-12(4-6-16)9-17-13/h9-11,16H,3-8H2,1-2H3
InChIKeyVRVUSPFXOAFDMF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol

2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol (PubChem CID 115082307) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
PubChem CID115082307
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
SMILESCC(C)N1CCC(Cc2nc(CCO)co2)C1
InChIInChI=1S/C13H22N2O2/c1-10(2)15-5-3-11(8-15)7-13-14-12(4-6-16)9-17-13/h9-11,16H,3-8H2,1-2H3
InChIKeyVRVUSPFXOAFDMF-UHFFFAOYSA-N
XLogP1.48
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol (CID 115082307) is 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol is CC(C)N1CCC(Cc2nc(CCO)co2)C1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol?
The InChIKey is VRVUSPFXOAFDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)15-5-3-11(8-15)7-13-14-12(4-6-16)9-17-13/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol?
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115082307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).