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

C17H19F3N2O2 — CID 45205018

IUPAC5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOCC(C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C17H19F3N2O2/c1-11(10-23-2)22-8-7-15-14(9-22)16(21-24-15)12-3-5-13(6-4-12)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyXZFJQVGBHZTASA-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.75
Rot. Bonds4

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

5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 45205018) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID45205018
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOCC(C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C17H19F3N2O2/c1-11(10-23-2)22-8-7-15-14(9-22)16(21-24-15)12-3-5-13(6-4-12)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyXZFJQVGBHZTASA-UHFFFAOYSA-N
XLogP3.75
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 45205018) is 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is COCC(C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1.
What is the InChIKey of 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is XZFJQVGBHZTASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11(10-23-2)22-8-7-15-14(9-22)16(21-24-15)12-3-5-13(6-4-12)17(18,19)20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 340.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 45205018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).