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

C23H20ClN5O2 — CID 95094189

IUPAC(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCCn1nccc1-c1cccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1
InChIInChI=1S/C23H20ClN5O2/c1-2-29-20(9-10-25-29)15-5-3-6-16(11-15)22-26-23(31-27-22)17-12-21(30)28(14-17)19-8-4-7-18(24)13-19/h3-11,13,17H,2,12,14H2,1H3/t17-/m1/s1
InChIKeyWEJUAHSRNZZGTJ-QGZVFWFLSA-N
MW433.90 g/mol
LogP4.79
Rot. Bonds5

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

(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 95094189) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID95094189
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCCn1nccc1-c1cccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1
InChIInChI=1S/C23H20ClN5O2/c1-2-29-20(9-10-25-29)15-5-3-6-16(11-15)22-26-23(31-27-22)17-12-21(30)28(14-17)19-8-4-7-18(24)13-19/h3-11,13,17H,2,12,14H2,1H3/t17-/m1/s1
InChIKeyWEJUAHSRNZZGTJ-QGZVFWFLSA-N
XLogP4.79
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95094188
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
(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
(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
(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95116407
1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 46378617
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 53065679
(4R)-1-(3-chloro-4-methylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015145
(4R)-1-(3-chlorophenyl)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075917
(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97043823

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 95094189) is (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CCn1nccc1-c1cccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is WEJUAHSRNZZGTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-2-29-20(9-10-25-29)15-5-3-6-16(11-15)22-26-23(31-27-22)17-12-21(30)28(14-17)19-8-4-7-18(24)13-19/h3-11,13,17H,2,12,14H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 433.90 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 95094189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).