5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

C18H12F3NO4 — CID 14443375

IUPAC5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1nc(-c2ccccc2)oc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H12F3NO4/c19-18(20,21)15-17(26-16(22-15)12-4-2-1-3-5-12)23-9-11-6-7-13-14(8-11)25-10-24-13/h1-8H,9-10H2
InChIKeyURLLKZFDGZEGNX-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.67
Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 14443375) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID14443375
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1nc(-c2ccccc2)oc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H12F3NO4/c19-18(20,21)15-17(26-16(22-15)12-4-2-1-3-5-12)23-9-11-6-7-13-14(8-11)25-10-24-13/h1-8H,9-10H2
InChIKeyURLLKZFDGZEGNX-UHFFFAOYSA-N
XLogP4.67
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole (CID 14443375) is 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1nc(-c2ccccc2)oc1OCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is URLLKZFDGZEGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c19-18(20,21)15-17(26-16(22-15)12-4-2-1-3-5-12)23-9-11-6-7-13-14(8-11)25-10-24-13/h1-8H,9-10H2.
What are the key properties of 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 363.29 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethoxy)-2-phenyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 14443375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).