4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide

C23H23ClN4O3 — CID 38009290

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C23H23ClN4O3/c24-18-11-9-17(10-12-18)23-26-21(31-27-23)7-2-6-20(29)25-19-5-1-4-16(14-19)15-28-13-3-8-22(28)30/h1,4-5,9-12,14H,2-3,6-8,13,15H2,(H,25,29)
InChIKeyXMAWNQKDZJSHIR-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.47
Rot. Bonds8

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide (PubChem CID 38009290) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide
PubChem CID38009290
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C23H23ClN4O3/c24-18-11-9-17(10-12-18)23-26-21(31-27-23)7-2-6-20(29)25-19-5-1-4-16(14-19)15-28-13-3-8-22(28)30/h1,4-5,9-12,14H,2-3,6-8,13,15H2,(H,25,29)
InChIKeyXMAWNQKDZJSHIR-UHFFFAOYSA-N
XLogP4.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 78868511
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78868323
N-[3-[(dimethylamino)methyl]phenyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 33129189
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-3-nitrophenyl)butanamide
CID 38701413
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
CID 38739993
[2-(3-ethylanilino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34420099
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 46263724
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 24949375

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide (CID 38009290) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is XMAWNQKDZJSHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-18-11-9-17(10-12-18)23-26-21(31-27-23)7-2-6-20(29)25-19-5-1-4-16(14-19)15-28-13-3-8-22(28)30/h1,4-5,9-12,14H,2-3,6-8,13,15H2,(H,25,29).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 438.92 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 38009290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).