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

C10H15FN2O — CID 171704888

IUPAC5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCCC(F)C2)on1
InChIInChI=1S/C10H15FN2O/c1-8-5-10(14-12-8)7-13-4-2-3-9(11)6-13/h5,9H,2-4,6-7H2,1H3
InChIKeyNWTYQZJFJWVHKQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.92
Rot. Bonds2

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

5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 171704888) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID171704888
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCCC(F)C2)on1
InChIInChI=1S/C10H15FN2O/c1-8-5-10(14-12-8)7-13-4-2-3-9(11)6-13/h5,9H,2-4,6-7H2,1H3
InChIKeyNWTYQZJFJWVHKQ-UHFFFAOYSA-N
XLogP1.92
TPSA29.27 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole (CID 171704888) is 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCCC(F)C2)on1.
What is the InChIKey of 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is NWTYQZJFJWVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8-5-10(14-12-8)7-13-4-2-3-9(11)6-13/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole?
5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 198.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 171704888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).