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

C11H17FN2O — CID 126793781

IUPAC2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCC(CF)CC2)o1
InChIInChI=1S/C11H17FN2O/c1-9-7-13-11(15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-6,8H2,1H3
InChIKeyKDHLEWMILVTAOE-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.16
Rot. Bonds3

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

2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 126793781) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID126793781
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCC(CF)CC2)o1
InChIInChI=1S/C11H17FN2O/c1-9-7-13-11(15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-6,8H2,1H3
InChIKeyKDHLEWMILVTAOE-UHFFFAOYSA-N
XLogP2.16
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 126793781) is 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CCC(CF)CC2)o1.
What is the InChIKey of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is KDHLEWMILVTAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-9-7-13-11(15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 212.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 126793781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).