4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole

C10H14F2N2O — CID 121174277

IUPAC4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1oncc1CN1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N2O/c1-8-9(6-13-15-8)7-14-4-2-10(11,12)3-5-14/h6H,2-5,7H2,1H3
InChIKeyYOKKXCPKIUUVKL-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.21
Rot. Bonds2

About 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole

4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 121174277) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID121174277
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1oncc1CN1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N2O/c1-8-9(6-13-15-8)7-14-4-2-10(11,12)3-5-14/h6H,2-5,7H2,1H3
InChIKeyYOKKXCPKIUUVKL-UHFFFAOYSA-N
XLogP2.21
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 121174277) is 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1oncc1CN1CCC(F)(F)CC1.
What is the InChIKey of 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is YOKKXCPKIUUVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-8-9(6-13-15-8)7-14-4-2-10(11,12)3-5-14/h6H,2-5,7H2,1H3.
What are the key properties of 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 216.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoropiperidin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 121174277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).