3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole

C11H18N2O — CID 83484496

IUPAC3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CC1CCNCC1
InChIInChI=1S/C11H18N2O/c1-8-11(9(2)14-13-8)7-10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyHCICZEFXRCBBJI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.83
Rot. Bonds2

About 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole

3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole (PubChem CID 83484496) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
PubChem CID83484496
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CC1CCNCC1
InChIInChI=1S/C11H18N2O/c1-8-11(9(2)14-13-8)7-10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyHCICZEFXRCBBJI-UHFFFAOYSA-N
XLogP1.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole (CID 83484496) is 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole is Cc1noc(C)c1CC1CCNCC1.
What is the InChIKey of 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole?
The InChIKey is HCICZEFXRCBBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-11(9(2)14-13-8)7-10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole has a molecular weight of 194.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 83484496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).