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

C20H16F4N4O3 — CID 175587941

IUPAC4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1cc(F)c(C2CNC(=O)C2Nc2nnc(-c3ccc(C(F)F)cc3)o2)c(F)c1
InChIInChI=1S/C20H16F4N4O3/c1-30-11-6-13(21)15(14(22)7-11)12-8-25-18(29)16(12)26-20-28-27-19(31-20)10-4-2-9(3-5-10)17(23)24/h2-7,12,16-17H,8H2,1H3,(H,25,29)(H,26,28)
InChIKeyYDBADFVDSDJNFM-UHFFFAOYSA-N
MW436.37 g/mol
LogP3.66
Rot. Bonds6

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

4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 175587941) has the molecular formula C20H16F4N4O3 and a molecular weight of 436.37 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID175587941
Molecular FormulaC20H16F4N4O3
Molecular Weight436.37 g/mol
Exact Mass436.12
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1cc(F)c(C2CNC(=O)C2Nc2nnc(-c3ccc(C(F)F)cc3)o2)c(F)c1
InChIInChI=1S/C20H16F4N4O3/c1-30-11-6-13(21)15(14(22)7-11)12-8-25-18(29)16(12)26-20-28-27-19(31-20)10-4-2-9(3-5-10)17(23)24/h2-7,12,16-17H,8H2,1H3,(H,25,29)(H,26,28)
InChIKeyYDBADFVDSDJNFM-UHFFFAOYSA-N
XLogP3.66
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)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

Related Compounds

4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 175587851
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 162425434
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 162425422
(3R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 175587838
4-[4-[5-[[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3,4-oxadiazol-2-yl]phenoxy]benzonitrile
CID 162425414
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 162425423
(3S,4R)-3-[[5-[4-(5-chloropyrazin-2-yl)oxyphenyl]-1,3,4-oxadiazol-2-yl]amino]-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 162425421
(3S,4R)-3-[[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 146648729
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-yl]amino]pyrrolidin-2-one
CID 146597632
3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 171541019
1-[(4S)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 118132943
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 122582962

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 175587941) is 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is COc1cc(F)c(C2CNC(=O)C2Nc2nnc(-c3ccc(C(F)F)cc3)o2)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is YDBADFVDSDJNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O3/c1-30-11-6-13(21)15(14(22)7-11)12-8-25-18(29)16(12)26-20-28-27-19(31-20)10-4-2-9(3-5-10)17(23)24/h2-7,12,16-17H,8H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 436.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 175587941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).