5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole

C17H29N3O2 — CID 11630921

IUPAC5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole
SMILESc1c(OCCCN2CCCCC2)noc1CN1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-3-8-19(9-4-1)12-7-13-21-17-14-16(22-18-17)15-20-10-5-2-6-11-20/h14H,1-13,15H2
InChIKeyGDHUWQJSEJKYAN-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.92
Rot. Bonds7

About 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole

5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole (PubChem CID 11630921) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole
PubChem CID11630921
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole
SMILESc1c(OCCCN2CCCCC2)noc1CN1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-3-8-19(9-4-1)12-7-13-21-17-14-16(22-18-17)15-20-10-5-2-6-11-20/h14H,1-13,15H2
InChIKeyGDHUWQJSEJKYAN-UHFFFAOYSA-N
XLogP2.92
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-Piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-morpholine
CID 11507838
(2-Methoxy-ethyl)-[3-(3-piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-amine
CID 11666530
3-Methoxy-5-[[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 137835918
3-[(1-Fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole
CID 178018903
3-(1-Azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole
CID 19038103
5-Methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride
CID 19038122
5-Methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole
CID 19038123
3-(1-Azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride
CID 19038128
4-[(5-Methyl-1,2-oxazol-3-yl)oxy]piperidine
CID 19038138
1-[3-(5-Chloromethyl-isoxazol-3-yloxy)-propyl]-piperidine
CID 67189274
(1S)-1-(3-butoxy-1,2-oxazol-5-yl)-N,N-dimethylprop-2-en-1-amine
CID 68060457
(1R)-1-(3-butoxy-1,2-oxazol-5-yl)-N,N-dimethylprop-2-en-1-amine
CID 68060701

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
The IUPAC name of 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole (CID 11630921) is 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole is c1c(OCCCN2CCCCC2)noc1CN1CCCCC1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
The InChIKey is GDHUWQJSEJKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-8-19(9-4-1)12-7-13-21-17-14-16(22-18-17)15-20-10-5-2-6-11-20/h14H,1-13,15H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole?
5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole has a molecular weight of 307.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-3-(3-piperidin-1-ylpropoxy)-1,2-oxazole is sourced from PubChem (CID 11630921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).