(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C22H21ClN4O5S — CID 97043823

IUPAC(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CN1c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O5S/c23-17-2-1-3-18(13-17)27-14-16(12-20(27)28)22-24-21(25-32-22)15-4-6-19(7-5-15)33(29,30)26-8-10-31-11-9-26/h1-7,13,16H,8-12,14H2/t16-/m1/s1
InChIKeyHCIVUAGKXXZMSQ-MRXNPFEDSA-N
MW488.95 g/mol
LogP2.93
Rot. Bonds5

About (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 97043823) has the molecular formula C22H21ClN4O5S and a molecular weight of 488.95 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID97043823
Molecular FormulaC22H21ClN4O5S
Molecular Weight488.95 g/mol
Exact Mass488.09
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CN1c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O5S/c23-17-2-1-3-18(13-17)27-14-16(12-20(27)28)22-24-21(25-32-22)15-4-6-19(7-5-15)33(29,30)26-8-10-31-11-9-26/h1-7,13,16H,8-12,14H2/t16-/m1/s1
InChIKeyHCIVUAGKXXZMSQ-MRXNPFEDSA-N
XLogP2.93
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492744
1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 46378617
(4S)-1-(3-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586089
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4S)-1-(3-chlorophenyl)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95086857
4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 92895655
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 53065679
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4S)-4-[3-[4-(4-chlorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 92880397
(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95094189

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 97043823) is (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is O=C1C[C@@H](c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CN1c1cccc(Cl)c1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is HCIVUAGKXXZMSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClN4O5S/c23-17-2-1-3-18(13-17)27-14-16(12-20(27)28)22-24-21(25-32-22)15-4-6-19(7-5-15)33(29,30)26-8-10-31-11-9-26/h1-7,13,16H,8-12,14H2/t16-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 488.95 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 97043823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).