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

C20H18FN3O3 — CID 67011889

IUPAC1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESCc1nc(C2CC(=O)N(c3ccc(OCc4cccc(F)c4)cc3)C2)no1
InChIInChI=1S/C20H18FN3O3/c1-13-22-20(23-27-13)15-10-19(25)24(11-15)17-5-7-18(8-6-17)26-12-14-3-2-4-16(21)9-14/h2-9,15H,10-12H2,1H3
InChIKeyFMCBAZMONVXLHX-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.62
Rot. Bonds5

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

1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (PubChem CID 67011889) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
PubChem CID67011889
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESCc1nc(C2CC(=O)N(c3ccc(OCc4cccc(F)c4)cc3)C2)no1
InChIInChI=1S/C20H18FN3O3/c1-13-22-20(23-27-13)15-10-19(25)24(11-15)17-5-7-18(8-6-17)26-12-14-3-2-4-16(21)9-14/h2-9,15H,10-12H2,1H3
InChIKeyFMCBAZMONVXLHX-UHFFFAOYSA-N
XLogP3.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (CID 67011889) is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is Cc1nc(C2CC(=O)N(c3ccc(OCc4cccc(F)c4)cc3)C2)no1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The InChIKey is FMCBAZMONVXLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-22-20(23-27-13)15-10-19(25)24(11-15)17-5-7-18(8-6-17)26-12-14-3-2-4-16(21)9-14/h2-9,15H,10-12H2,1H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one has a molecular weight of 367.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 67011889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).