1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one

C20H20F3N3O3 — CID 45248028

IUPAC1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one
SMILESCC(C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1)N1CCCC1=O
InChIInChI=1S/C20H20F3N3O3/c1-12(26-9-2-3-17(26)27)19(28)25-10-8-16-15(11-25)18(24-29-16)13-4-6-14(7-5-13)20(21,22)23/h4-7,12H,2-3,8-11H2,1H3
InChIKeyIOGWZLKONAYFFC-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.26
Rot. Bonds3

About 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one

1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one (PubChem CID 45248028) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one
PubChem CID45248028
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one
SMILESCC(C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1)N1CCCC1=O
InChIInChI=1S/C20H20F3N3O3/c1-12(26-9-2-3-17(26)27)19(28)25-10-8-16-15(11-25)18(24-29-16)13-4-6-14(7-5-13)20(21,22)23/h4-7,12H,2-3,8-11H2,1H3
InChIKeyIOGWZLKONAYFFC-UHFFFAOYSA-N
XLogP3.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one (CID 45248028) is 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one is CC(C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1)N1CCCC1=O.
What is the InChIKey of 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one?
The InChIKey is IOGWZLKONAYFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12(26-9-2-3-17(26)27)19(28)25-10-8-16-15(11-25)18(24-29-16)13-4-6-14(7-5-13)20(21,22)23/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one?
1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one has a molecular weight of 407.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45248028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).