[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol

C12H20N2O3 — CID 113377461

IUPAC[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol
SMILESCCCOC1CCCN(c2nc(CO)co2)C1
InChIInChI=1S/C12H20N2O3/c1-2-6-16-11-4-3-5-14(7-11)12-13-10(8-15)9-17-12/h9,11,15H,2-8H2,1H3
InChIKeyJHHRZHHKWAOJTI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.56
Rot. Bonds5

About [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol

[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 113377461) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol
PubChem CID113377461
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol
SMILESCCCOC1CCCN(c2nc(CO)co2)C1
InChIInChI=1S/C12H20N2O3/c1-2-6-16-11-4-3-5-14(7-11)12-13-10(8-15)9-17-12/h9,11,15H,2-8H2,1H3
InChIKeyJHHRZHHKWAOJTI-UHFFFAOYSA-N
XLogP1.56
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106960042
[4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63918201
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
CID 81152025
4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
4-(chloromethyl)-6-methyl-2-(3-propoxypiperidin-1-yl)pyrimidine
CID 114220020
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62769335
N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960047

Frequently Asked Questions

What is the IUPAC name of [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol (CID 113377461) is [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol is CCCOC1CCCN(c2nc(CO)co2)C1.
What is the InChIKey of [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is JHHRZHHKWAOJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-6-16-11-4-3-5-14(7-11)12-13-10(8-15)9-17-12/h9,11,15H,2-8H2,1H3.
What are the key properties of [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol?
[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol has a molecular weight of 240.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 113377461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).