5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole

C10H15FN2O — CID 84774906

IUPAC5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1nc(C2CCNCC2)oc1CF
InChIInChI=1S/C10H15FN2O/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h8,12H,2-6H2,1H3
InChIKeyBDVWGTARIABTFB-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.92
Rot. Bonds2

About 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole

5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole (PubChem CID 84774906) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
PubChem CID84774906
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1nc(C2CCNCC2)oc1CF
InChIInChI=1S/C10H15FN2O/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h8,12H,2-6H2,1H3
InChIKeyBDVWGTARIABTFB-UHFFFAOYSA-N
XLogP1.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole (CID 84774906) is 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole is Cc1nc(C2CCNCC2)oc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is BDVWGTARIABTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h8,12H,2-6H2,1H3.
What are the key properties of 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole?
5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 198.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 84774906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).