(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

C20H16F4N4O3S — CID 175587838

IUPAC(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1cc(F)c(C2CNC(=O)[C@@H]2Nc2nnc(-c3ccc(SC(F)F)cc3)o2)c(F)c1
InChIInChI=1S/C20H16F4N4O3S/c1-30-10-6-13(21)15(14(22)7-10)12-8-25-17(29)16(12)26-20-28-27-18(31-20)9-2-4-11(5-3-9)32-19(23)24/h2-7,12,16,19H,8H2,1H3,(H,25,29)(H,26,28)/t12?,16-/m1/s1
InChIKeyRJCAQJAXHDHBIQ-PVQCJRHBSA-N
MW468.43 g/mol
LogP4.03
Rot. Bonds7

About (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 175587838) has the molecular formula C20H16F4N4O3S and a molecular weight of 468.43 g/mol. Its IUPAC name is (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID175587838
Molecular FormulaC20H16F4N4O3S
Molecular Weight468.43 g/mol
Exact Mass468.09
IUPAC Name(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1cc(F)c(C2CNC(=O)[C@@H]2Nc2nnc(-c3ccc(SC(F)F)cc3)o2)c(F)c1
InChIInChI=1S/C20H16F4N4O3S/c1-30-10-6-13(21)15(14(22)7-10)12-8-25-17(29)16(12)26-20-28-27-18(31-20)9-2-4-11(5-3-9)32-19(23)24/h2-7,12,16,19H,8H2,1H3,(H,25,29)(H,26,28)/t12?,16-/m1/s1
InChIKeyRJCAQJAXHDHBIQ-PVQCJRHBSA-N
XLogP4.03
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 175587838) is (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is COc1cc(F)c(C2CNC(=O)[C@@H]2Nc2nnc(-c3ccc(SC(F)F)cc3)o2)c(F)c1.
What is the InChIKey of (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is RJCAQJAXHDHBIQ-PVQCJRHBSA-N. The full InChI is InChI=1S/C20H16F4N4O3S/c1-30-10-6-13(21)15(14(22)7-10)12-8-25-17(29)16(12)26-20-28-27-18(31-20)9-2-4-11(5-3-9)32-19(23)24/h2-7,12,16,19H,8H2,1H3,(H,25,29)(H,26,28)/t12?,16-/m1/s1.
What are the key properties of (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 468.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 175587838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).