5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

C17H24N2O2S — CID 45211251

IUPAC5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCCCOC1CCCN(Cc2nc(-c3cccs3)oc2C)C1
InChIInChI=1S/C17H24N2O2S/c1-3-9-20-14-6-4-8-19(11-14)12-15-13(2)21-17(18-15)16-7-5-10-22-16/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyULXPBEXMQVMJHE-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.10
Rot. Bonds6

About 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 45211251) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID45211251
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCCCOC1CCCN(Cc2nc(-c3cccs3)oc2C)C1
InChIInChI=1S/C17H24N2O2S/c1-3-9-20-14-6-4-8-19(11-14)12-15-13(2)21-17(18-15)16-7-5-10-22-16/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyULXPBEXMQVMJHE-UHFFFAOYSA-N
XLogP4.10
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 45211251) is 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is CCCOC1CCCN(Cc2nc(-c3cccs3)oc2C)C1.
What is the InChIKey of 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is ULXPBEXMQVMJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-9-20-14-6-4-8-19(11-14)12-15-13(2)21-17(18-15)16-7-5-10-22-16/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 320.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 45211251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).