3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole

C10H15FN2O2 — CID 178018903

IUPAC3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole
SMILESCc1cc(OCC2CCN(F)CC2)no1
InChIInChI=1S/C10H15FN2O2/c1-8-6-10(12-15-8)14-7-9-2-4-13(11)5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyVJBABAFUAWJIIQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.96
Rot. Bonds3

About 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole

3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole (PubChem CID 178018903) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole
PubChem CID178018903
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole
SMILESCc1cc(OCC2CCN(F)CC2)no1
InChIInChI=1S/C10H15FN2O2/c1-8-6-10(12-15-8)14-7-9-2-4-13(11)5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyVJBABAFUAWJIIQ-UHFFFAOYSA-N
XLogP1.96
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole (CID 178018903) is 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole is Cc1cc(OCC2CCN(F)CC2)no1.
What is the InChIKey of 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole?
The InChIKey is VJBABAFUAWJIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-8-6-10(12-15-8)14-7-9-2-4-13(11)5-3-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole?
3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole has a molecular weight of 214.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole is sourced from PubChem (CID 178018903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).