4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole

C16H18F2N2O — CID 146101730

IUPAC4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole
SMILESCC1(c2ccccc2)CCN(c2nc(C(F)F)co2)CC1
InChIInChI=1S/C16H18F2N2O/c1-16(12-5-3-2-4-6-12)7-9-20(10-8-16)15-19-13(11-21-15)14(17)18/h2-6,11,14H,7-10H2,1H3
InChIKeyIRJPIMOPXGUILY-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.17
Rot. Bonds3

About 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole

4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole (PubChem CID 146101730) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole
PubChem CID146101730
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole
SMILESCC1(c2ccccc2)CCN(c2nc(C(F)F)co2)CC1
InChIInChI=1S/C16H18F2N2O/c1-16(12-5-3-2-4-6-12)7-9-20(10-8-16)15-19-13(11-21-15)14(17)18/h2-6,11,14H,7-10H2,1H3
InChIKeyIRJPIMOPXGUILY-UHFFFAOYSA-N
XLogP4.17
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole (CID 146101730) is 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole is CC1(c2ccccc2)CCN(c2nc(C(F)F)co2)CC1.
What is the InChIKey of 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is IRJPIMOPXGUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-16(12-5-3-2-4-6-12)7-9-20(10-8-16)15-19-13(11-21-15)14(17)18/h2-6,11,14H,7-10H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole?
4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 292.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(4-methyl-4-phenylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 146101730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).