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

C17H14ClN3O3S — CID 93492784

IUPAC(4R)-1-(3-chloro-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)cc1Cl
InChIInChI=1S/C17H14ClN3O3S/c1-23-13-5-4-11(8-12(13)18)21-9-10(7-15(21)22)17-19-16(20-24-17)14-3-2-6-25-14/h2-6,8,10H,7,9H2,1H3/t10-/m1/s1
InChIKeyZBITZHSAKABDPX-SNVBAGLBSA-N
MW375.84 g/mol
LogP3.98
Rot. Bonds4

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

(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 93492784) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID93492784
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name(4R)-1-(3-chloro-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)cc1Cl
InChIInChI=1S/C17H14ClN3O3S/c1-23-13-5-4-11(8-12(13)18)21-9-10(7-15(21)22)17-19-16(20-24-17)14-3-2-6-25-14/h2-6,8,10H,7,9H2,1H3/t10-/m1/s1
InChIKeyZBITZHSAKABDPX-SNVBAGLBSA-N
XLogP3.98
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
(4S)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 41014966
(4S)-1-(3-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586089
1-(3,4-dimethoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955931
(4S)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 41015909
(4R)-4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 41015008
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 16956788
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
(4R)-1-(3,4-dimethoxyphenyl)-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015015
(4S)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 41015081
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955927

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 93492784) is (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chloro-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)cc1Cl.
What is the InChIKey of (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is ZBITZHSAKABDPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-23-13-5-4-11(8-12(13)18)21-9-10(7-15(21)22)17-19-16(20-24-17)14-3-2-6-25-14/h2-6,8,10H,7,9H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 375.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 93492784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).