(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C17H15N3O3S — CID 41015060

IUPAC(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](c3nc(-c4cccs4)no3)CC2=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-22-13-6-4-12(5-7-13)20-10-11(9-15(20)21)17-18-16(19-23-17)14-3-2-8-24-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyHVYVZDDCGHRIOB-LLVKDONJSA-N
MW341.39 g/mol
LogP3.33
Rot. Bonds4

About (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 41015060) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID41015060
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](c3nc(-c4cccs4)no3)CC2=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-22-13-6-4-12(5-7-13)20-10-11(9-15(20)21)17-18-16(19-23-17)14-3-2-8-24-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyHVYVZDDCGHRIOB-LLVKDONJSA-N
XLogP3.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 93492784
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954
(4S)-1-(4-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015022
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 16955961
(4S)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 41015081
4-[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 46384857
1-(4-methoxyphenyl)-4-[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53126969
(4R)-4-[3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 95092119
(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 40775412
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
4-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 46390867
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 53083530

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 41015060) is (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is COc1ccc(N2C[C@H](c3nc(-c4cccs4)no3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is HVYVZDDCGHRIOB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-13-6-4-12(5-7-13)20-10-11(9-15(20)21)17-18-16(19-23-17)14-3-2-8-24-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 341.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 41015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).