2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol

C12H20N2O3 — CID 115771137

IUPAC2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
SMILESCc1cc(CN2CCC(OCCO)CC2)on1
InChIInChI=1S/C12H20N2O3/c1-10-8-12(17-13-10)9-14-4-2-11(3-5-14)16-7-6-15/h8,11,15H,2-7,9H2,1H3
InChIKeyPXLGHJWKQIOMCG-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.96
Rot. Bonds5

About 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 115771137) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
PubChem CID115771137
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
SMILESCc1cc(CN2CCC(OCCO)CC2)on1
InChIInChI=1S/C12H20N2O3/c1-10-8-12(17-13-10)9-14-4-2-11(3-5-14)16-7-6-15/h8,11,15H,2-7,9H2,1H3
InChIKeyPXLGHJWKQIOMCG-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 71859846
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691821
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide
CID 95785641
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol (CID 115771137) is 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol is Cc1cc(CN2CCC(OCCO)CC2)on1.
What is the InChIKey of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is PXLGHJWKQIOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10-8-12(17-13-10)9-14-4-2-11(3-5-14)16-7-6-15/h8,11,15H,2-7,9H2,1H3.
What are the key properties of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 240.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 115771137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).