5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one

C16H12F3N5O2 — CID 137252838

IUPAC5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2)N1c1ncc(-c2noc(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)14-22-13(23-26-14)10-8-20-15(21-10)24-11(6-7-12(24)25)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,20,21)
InChIKeySLFTVQLUDKOJJN-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.35
Rot. Bonds3

About 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one

5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 137252838) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID137252838
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2)N1c1ncc(-c2noc(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)14-22-13(23-26-14)10-8-20-15(21-10)24-11(6-7-12(24)25)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,20,21)
InChIKeySLFTVQLUDKOJJN-UHFFFAOYSA-N
XLogP3.35
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one (CID 137252838) is 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one is O=C1CCC(c2ccccc2)N1c1ncc(-c2noc(C(F)(F)F)n2)[nH]1.
What is the InChIKey of 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is SLFTVQLUDKOJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)14-22-13(23-26-14)10-8-20-15(21-10)24-11(6-7-12(24)25)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,20,21).
What are the key properties of 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one?
5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 363.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 137252838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).