2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole

C12H20N2O — CID 126909013

IUPAC2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(C2CCN(C)CC2)o1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyMXWPQIWQQBVNSG-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.61
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole

2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole (PubChem CID 126909013) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole
PubChem CID126909013
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(C2CCN(C)CC2)o1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyMXWPQIWQQBVNSG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole (CID 126909013) is 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole is CC(C)c1cnc(C2CCN(C)CC2)o1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is MXWPQIWQQBVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole?
2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 126909013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).