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

C9H13FN2O — CID 84769396

IUPAC5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole
SMILESFCc1cnc(C2CCNCC2)o1
InChIInChI=1S/C9H13FN2O/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2
InChIKeyGGMLEYJCFAKTNW-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.61
Rot. Bonds2

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

5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole (PubChem CID 84769396) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole
PubChem CID84769396
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole
SMILESFCc1cnc(C2CCNCC2)o1
InChIInChI=1S/C9H13FN2O/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2
InChIKeyGGMLEYJCFAKTNW-UHFFFAOYSA-N
XLogP1.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole (CID 84769396) is 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole is FCc1cnc(C2CCNCC2)o1.
What is the InChIKey of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is GGMLEYJCFAKTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2.
What are the key properties of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole?
5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 184.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 84769396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).