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

C20H17ClFN3O3 — CID 118454367

IUPAC1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccc(CN3CCCC3=O)c(Oc3ccc(Cl)c(F)c3)c2)no1
InChIInChI=1S/C20H17ClFN3O3/c1-12-23-20(24-28-12)13-4-5-14(11-25-8-2-3-19(25)26)18(9-13)27-15-6-7-16(21)17(22)10-15/h4-7,9-10H,2-3,8,11H2,1H3
InChIKeyKMNVYTZNXXNNLH-UHFFFAOYSA-N
MW401.83 g/mol
LogP4.75
Rot. Bonds5

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

1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 118454367) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID118454367
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccc(CN3CCCC3=O)c(Oc3ccc(Cl)c(F)c3)c2)no1
InChIInChI=1S/C20H17ClFN3O3/c1-12-23-20(24-28-12)13-4-5-14(11-25-8-2-3-19(25)26)18(9-13)27-15-6-7-16(21)17(22)10-15/h4-7,9-10H,2-3,8,11H2,1H3
InChIKeyKMNVYTZNXXNNLH-UHFFFAOYSA-N
XLogP4.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[4-[3-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]pyrrolidin-2-one
CID 118465711
1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
CID 118465788
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-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
CID 118465787
1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one
CID 57433639
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
CID 118465284
1-methyl-4-[3-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 118465680
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-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454307

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one (CID 118454367) is 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one is Cc1nc(-c2ccc(CN3CCCC3=O)c(Oc3ccc(Cl)c(F)c3)c2)no1.
What is the InChIKey of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KMNVYTZNXXNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-12-23-20(24-28-12)13-4-5-14(11-25-8-2-3-19(25)26)18(9-13)27-15-6-7-16(21)17(22)10-15/h4-7,9-10H,2-3,8,11H2,1H3.
What are the key properties of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one?
1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 401.83 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118454367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).