4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole

C12H19FN2O — CID 84791007

IUPAC4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCC(C)(F)c1coc(CC2CCCNC2)n1
InChIInChI=1S/C12H19FN2O/c1-12(2,13)10-8-16-11(15-10)6-9-4-3-5-14-7-9/h8-9,14H,3-7H2,1-2H3
InChIKeyZDSJJYDPTAMRCU-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.42
Rot. Bonds3

About 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole

4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole (PubChem CID 84791007) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole
PubChem CID84791007
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole
SMILESCC(C)(F)c1coc(CC2CCCNC2)n1
InChIInChI=1S/C12H19FN2O/c1-12(2,13)10-8-16-11(15-10)6-9-4-3-5-14-7-9/h8-9,14H,3-7H2,1-2H3
InChIKeyZDSJJYDPTAMRCU-UHFFFAOYSA-N
XLogP2.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole (CID 84791007) is 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole is CC(C)(F)c1coc(CC2CCCNC2)n1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole?
The InChIKey is ZDSJJYDPTAMRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,13)10-8-16-11(15-10)6-9-4-3-5-14-7-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole?
4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole has a molecular weight of 226.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-2-(piperidin-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84791007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).