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

C12H19FN2O — CID 167754880

IUPAC2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)N2CCC(CF)CC2)o1
InChIInChI=1S/C12H19FN2O/c1-9-8-14-12(16-9)10(2)15-5-3-11(7-13)4-6-15/h8,10-11H,3-7H2,1-2H3
InChIKeyRLTVRINOHDYKNF-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.73
Rot. Bonds3

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

2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole (PubChem CID 167754880) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole
PubChem CID167754880
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)N2CCC(CF)CC2)o1
InChIInChI=1S/C12H19FN2O/c1-9-8-14-12(16-9)10(2)15-5-3-11(7-13)4-6-15/h8,10-11H,3-7H2,1-2H3
InChIKeyRLTVRINOHDYKNF-UHFFFAOYSA-N
XLogP2.73
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole (CID 167754880) is 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole is Cc1cnc(C(C)N2CCC(CF)CC2)o1.
What is the InChIKey of 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
The InChIKey is RLTVRINOHDYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9-8-14-12(16-9)10(2)15-5-3-11(7-13)4-6-15/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole has a molecular weight of 226.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(fluoromethyl)piperidin-1-yl]ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 167754880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).