5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole

C12H20N2O — CID 105462175

IUPAC5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)11-9(3)15-12(14-11)10-4-6-13-7-5-10/h8,10,13H,4-7H2,1-3H3
InChIKeyOBPFSIBEJUEPQM-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.57
Rot. Bonds2

About 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole

5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole (PubChem CID 105462175) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
PubChem CID105462175
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)11-9(3)15-12(14-11)10-4-6-13-7-5-10/h8,10,13H,4-7H2,1-3H3
InChIKeyOBPFSIBEJUEPQM-UHFFFAOYSA-N
XLogP2.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole (CID 105462175) is 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole is Cc1oc(C2CCNCC2)nc1C(C)C.
What is the InChIKey of 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole?
The InChIKey is OBPFSIBEJUEPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)11-9(3)15-12(14-11)10-4-6-13-7-5-10/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole?
5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 105462175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).