5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole

C15H26N2O — CID 56684365

IUPAC5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCCC1CCCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H26N2O/c1-5-12-8-6-7-9-17(12)11-14-16-10-13(18-14)15(2,3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyKEPDSEDGNFHGNE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.74
Rot. Bonds3

About 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole

5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 56684365) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID56684365
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCCC1CCCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H26N2O/c1-5-12-8-6-7-9-17(12)11-14-16-10-13(18-14)15(2,3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyKEPDSEDGNFHGNE-UHFFFAOYSA-N
XLogP3.74
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole (CID 56684365) is 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole is CCC1CCCCN1Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is KEPDSEDGNFHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-12-8-6-7-9-17(12)11-14-16-10-13(18-14)15(2,3)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole?
5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 250.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56684365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).