3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole

C12H20N2O — CID 2241068

IUPAC3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(C)CC1
InChIInChI=1S/C12H20N2O/c1-9-4-6-14(7-5-9)8-12-10(2)13-15-11(12)3/h9H,4-8H2,1-3H3
InChIKeyBLHVKOWJQVSAHT-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.52
Rot. Bonds2

About 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole (PubChem CID 2241068) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
PubChem CID2241068
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(C)CC1
InChIInChI=1S/C12H20N2O/c1-9-4-6-14(7-5-9)8-12-10(2)13-15-11(12)3/h9H,4-8H2,1-3H3
InChIKeyBLHVKOWJQVSAHT-UHFFFAOYSA-N
XLogP2.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole (CID 2241068) is 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC(C)CC1.
What is the InChIKey of 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is BLHVKOWJQVSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-4-6-14(7-5-9)8-12-10(2)13-15-11(12)3/h9H,4-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 2241068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).