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

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

Related Compounds

2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083475
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115083403
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115082481
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115093923
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082404
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115082298
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507

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).