4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

C19H15ClFN3O3 — CID 91916840

IUPAC4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1-c1nc(C2CC(=O)N(c3ccc(F)cc3)C2)no1
InChIInChI=1S/C19H15ClFN3O3/c1-26-16-7-2-12(20)9-15(16)19-22-18(23-27-19)11-8-17(25)24(10-11)14-5-3-13(21)4-6-14/h2-7,9,11H,8,10H2,1H3
InChIKeyWJGOMXDLFSPWHK-UHFFFAOYSA-N
MW387.80 g/mol
LogP4.06
Rot. Bonds4

About 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 91916840) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID91916840
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1-c1nc(C2CC(=O)N(c3ccc(F)cc3)C2)no1
InChIInChI=1S/C19H15ClFN3O3/c1-26-16-7-2-12(20)9-15(16)19-22-18(23-27-19)11-8-17(25)24(10-11)14-5-3-13(21)4-6-14/h2-7,9,11H,8,10H2,1H3
InChIKeyWJGOMXDLFSPWHK-UHFFFAOYSA-N
XLogP4.06
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1291756
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CID 15665937
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CID 44097100
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CID 44097596
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CID 44097600
CID 44097600
CID 91916836
CID 91916836
CID 957338
CID 957338
CID 975862
CID 975862
CID 16955951
CID 16955951
CID 53121909
CID 53121909
CID 44095584
CID 44095584
CID 44096424
CID 44096424

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 91916840) is 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is COc1ccc(Cl)cc1-c1nc(C2CC(=O)N(c3ccc(F)cc3)C2)no1.
What is the InChIKey of 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is WJGOMXDLFSPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-26-16-7-2-12(20)9-15(16)19-22-18(23-27-19)11-8-17(25)24(10-11)14-5-3-13(21)4-6-14/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 387.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 91916840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).