5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C18H19F3N2O2 — CID 56753483

IUPAC5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(-c2noc3c2CN(CC2CCCO2)CC3)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-3-12(4-6-13)17-15-11-23(8-7-16(15)25-22-17)10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2
InChIKeyFAXBOLISVFNKCF-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.90
Rot. Bonds3

About 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56753483) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56753483
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(-c2noc3c2CN(CC2CCCO2)CC3)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-3-12(4-6-13)17-15-11-23(8-7-16(15)25-22-17)10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2
InChIKeyFAXBOLISVFNKCF-UHFFFAOYSA-N
XLogP3.90
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56753483) is 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is FC(F)(F)c1ccc(-c2noc3c2CN(CC2CCCO2)CC3)cc1.
What is the InChIKey of 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is FAXBOLISVFNKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-3-12(4-6-13)17-15-11-23(8-7-16(15)25-22-17)10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2.
What are the key properties of 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 352.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56753483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).