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

C12H19FN2O — CID 84791009

IUPAC5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESCC(C)(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C12H19FN2O/c1-12(2,13)10-8-15-11(16-10)7-9-3-5-14-6-4-9/h8-9,14H,3-7H2,1-2H3
InChIKeyRHUBKXOZSHNKRL-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.42
Rot. Bonds3

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

5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (PubChem CID 84791009) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
PubChem CID84791009
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESCC(C)(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C12H19FN2O/c1-12(2,13)10-8-15-11(16-10)7-9-3-5-14-6-4-9/h8-9,14H,3-7H2,1-2H3
InChIKeyRHUBKXOZSHNKRL-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 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (CID 84791009) is 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is CC(C)(F)c1cnc(CC2CCNCC2)o1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The InChIKey is RHUBKXOZSHNKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,13)10-8-15-11(16-10)7-9-3-5-14-6-4-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
5-(2-fluoropropan-2-yl)-2-(piperidin-4-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 5-(2-fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84791009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).