1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one

C24H22ClFN4O4 — CID 118465711

IUPAC1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCC(=O)N1CC(c2noc(-c3ccc(CN4CCCC4=O)c(Oc4ccc(Cl)c(F)c4)c3)n2)C1
InChIInChI=1S/C24H22ClFN4O4/c1-14(31)30-12-17(13-30)23-27-24(34-28-23)15-4-5-16(11-29-8-2-3-22(29)32)21(9-15)33-18-6-7-19(25)20(26)10-18/h4-7,9-10,17H,2-3,8,11-13H2,1H3
InChIKeyINVATVQNBDJJHA-UHFFFAOYSA-N
MW484.92 g/mol
LogP4.39
Rot. Bonds6

About 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one

1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one (PubChem CID 118465711) has the molecular formula C24H22ClFN4O4 and a molecular weight of 484.92 g/mol. Its IUPAC name is 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one
PubChem CID118465711
Molecular FormulaC24H22ClFN4O4
Molecular Weight484.92 g/mol
Exact Mass484.13
IUPAC Name1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCC(=O)N1CC(c2noc(-c3ccc(CN4CCCC4=O)c(Oc4ccc(Cl)c(F)c4)c3)n2)C1
InChIInChI=1S/C24H22ClFN4O4/c1-14(31)30-12-17(13-30)23-27-24(34-28-23)15-4-5-16(11-29-8-2-3-22(29)32)21(9-15)33-18-6-7-19(25)20(26)10-18/h4-7,9-10,17H,2-3,8,11-13H2,1H3
InChIKeyINVATVQNBDJJHA-UHFFFAOYSA-N
XLogP4.39
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[2-(4-chloro-3-fluorophenoxy)-4-[3-(1-methylsulfinylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidin-2-one
CID 144948219
1-[[2-(4-chloro-3-fluorophenoxy)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454375
1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454367
1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
CID 118465788
1-[[4-[3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]pyrrolidin-2-one
CID 118454295
(4R)-1-cyclopropyl-4-[5-[3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 118465690
1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
CID 118465787
3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
CID 118465284
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123598029
1-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-[5-(2-fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]phenyl]methyl]-4-methylpyrrolidin-2-one
CID 123506985
1-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]phenyl]methyl]-4-methylpyrrolidin-2-one
CID 123947773
(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 87052290

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one (CID 118465711) is 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one is CC(=O)N1CC(c2noc(-c3ccc(CN4CCCC4=O)c(Oc4ccc(Cl)c(F)c4)c3)n2)C1.
What is the InChIKey of 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is INVATVQNBDJJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O4/c1-14(31)30-12-17(13-30)23-27-24(34-28-23)15-4-5-16(11-29-8-2-3-22(29)32)21(9-15)33-18-6-7-19(25)20(26)10-18/h4-7,9-10,17H,2-3,8,11-13H2,1H3.
What are the key properties of 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one?
1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 484.92 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118465711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).