(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C18H15ClN4O3 — CID 42585888

IUPAC(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccccn3)no2)CC1=O
InChIInChI=1S/C18H15ClN4O3/c1-25-15-6-5-12(19)9-14(15)23-10-11(8-16(23)24)18-21-17(22-26-18)13-4-2-3-7-20-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1
InChIKeyWQTJZNSWGULIIJ-NSHDSACASA-N
MW370.80 g/mol
LogP3.31
Rot. Bonds4

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

(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 42585888) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID42585888
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccccn3)no2)CC1=O
InChIInChI=1S/C18H15ClN4O3/c1-25-15-6-5-12(19)9-14(15)23-10-11(8-16(23)24)18-21-17(22-26-18)13-4-2-3-7-20-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1
InChIKeyWQTJZNSWGULIIJ-NSHDSACASA-N
XLogP3.31
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
(4S)-1-(3-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586089
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
(4S)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 41014966
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
1-(3,4-dimethoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955931
1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 46378617
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492759
(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 40775412
(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 93492784

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 42585888) is (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccccn3)no2)CC1=O.
What is the InChIKey of (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is WQTJZNSWGULIIJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-25-15-6-5-12(19)9-14(15)23-10-11(8-16(23)24)18-21-17(22-26-18)13-4-2-3-7-20-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 370.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-chloro-2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 42585888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).