5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole

C19H21F3N2O3 — CID 67980956

IUPAC5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCNCC1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)26-16-4-2-1-3-14(16)17-15(18(27-24-17)12-5-6-12)11-25-13-7-9-23-10-8-13/h1-4,12-13,23H,5-11H2
InChIKeyHIUCWXSLRCMHLI-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.39
Rot. Bonds6

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

5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole (PubChem CID 67980956) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
PubChem CID67980956
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCNCC1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)26-16-4-2-1-3-14(16)17-15(18(27-24-17)12-5-6-12)11-25-13-7-9-23-10-8-13/h1-4,12-13,23H,5-11H2
InChIKeyHIUCWXSLRCMHLI-UHFFFAOYSA-N
XLogP4.39
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole (CID 67980956) is 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole is FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCNCC1.
What is the InChIKey of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The InChIKey is HIUCWXSLRCMHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c20-19(21,22)26-16-4-2-1-3-14(16)17-15(18(27-24-17)12-5-6-12)11-25-13-7-9-23-10-8-13/h1-4,12-13,23H,5-11H2.
What are the key properties of 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole?
5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole has a molecular weight of 382.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(piperidin-4-yloxymethyl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 67980956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).