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

C15H20N2OS — CID 56662569

IUPAC4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCCC1CCCCN1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C15H20N2OS/c1-2-13-6-3-4-8-17(13)10-12-11-18-15(16-12)14-7-5-9-19-14/h5,7,9,11,13H,2-4,6,8,10H2,1H3
InChIKeyDJMQWQVWKYIJMA-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.17
Rot. Bonds4

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

4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 56662569) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID56662569
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCCC1CCCCN1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C15H20N2OS/c1-2-13-6-3-4-8-17(13)10-12-11-18-15(16-12)14-7-5-9-19-14/h5,7,9,11,13H,2-4,6,8,10H2,1H3
InChIKeyDJMQWQVWKYIJMA-UHFFFAOYSA-N
XLogP4.17
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 56662569) is 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is CCC1CCCCN1Cc1coc(-c2cccs2)n1.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is DJMQWQVWKYIJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-13-6-3-4-8-17(13)10-12-11-18-15(16-12)14-7-5-9-19-14/h5,7,9,11,13H,2-4,6,8,10H2,1H3.
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 276.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 56662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).