5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole

C19H27F3N2O2 — CID 67981278

IUPAC5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole
SMILESFC(F)(F)C1CCCCC1c1noc(C2CC2)c1COC1CCNCC1
InChIInChI=1S/C19H27F3N2O2/c20-19(21,22)16-4-2-1-3-14(16)17-15(18(26-24-17)12-5-6-12)11-25-13-7-9-23-10-8-13/h12-14,16,23H,1-11H2
InChIKeyXJPKVNVBPPWBSN-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.66
Rot. Bonds5

About 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole

5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole (PubChem CID 67981278) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole
PubChem CID67981278
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole
SMILESFC(F)(F)C1CCCCC1c1noc(C2CC2)c1COC1CCNCC1
InChIInChI=1S/C19H27F3N2O2/c20-19(21,22)16-4-2-1-3-14(16)17-15(18(26-24-17)12-5-6-12)11-25-13-7-9-23-10-8-13/h12-14,16,23H,1-11H2
InChIKeyXJPKVNVBPPWBSN-UHFFFAOYSA-N
XLogP4.66
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole (CID 67981278) is 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole is FC(F)(F)C1CCCCC1c1noc(C2CC2)c1COC1CCNCC1.
What is the InChIKey of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
The InChIKey is XJPKVNVBPPWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c20-19(21,22)16-4-2-1-3-14(16)17-15(18(26-24-17)12-5-6-12)11-25-13-7-9-23-10-8-13/h12-14,16,23H,1-11H2.
What are the key properties of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole?
5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole has a molecular weight of 372.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole is sourced from PubChem (CID 67981278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).