1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol

C12H22N2O3 — CID 171852960

IUPAC1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCC1C=CON1OCC(O)CN1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-11-5-8-16-14(11)17-10-12(15)9-13-6-3-2-4-7-13/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3
InChIKeyKGVUYYSIUIXSPI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.91
Rot. Bonds5

About 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol

1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 171852960) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID171852960
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCC1C=CON1OCC(O)CN1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-11-5-8-16-14(11)17-10-12(15)9-13-6-3-2-4-7-13/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3
InChIKeyKGVUYYSIUIXSPI-UHFFFAOYSA-N
XLogP0.91
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 171852964
1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride
CID 172812158
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(azonan-1-yl)butan-2-ol
CID 130671766
(2S)-1-(azepan-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 35581687
1-[(E)-2-methylbut-2-enoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 88616223
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol (CID 171852960) is 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol is CC1C=CON1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is KGVUYYSIUIXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11-5-8-16-14(11)17-10-12(15)9-13-6-3-2-4-7-13/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3.
What are the key properties of 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 171852960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).