N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C24H25ClN4O3S — CID 55542675

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)CC2=O)cc1
InChIInChI=1S/C24H25ClN4O3S/c1-15(2)28(14-21-26-27-23(32-21)19-6-4-5-7-20(19)25)24(31)16-12-22(30)29(13-16)17-8-10-18(33-3)11-9-17/h4-11,15-16H,12-14H2,1-3H3
InChIKeyPFXWUMJRLIXZLW-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.90
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 55542675) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID55542675
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)CC2=O)cc1
InChIInChI=1S/C24H25ClN4O3S/c1-15(2)28(14-21-26-27-23(32-21)19-6-4-5-7-20(19)25)24(31)16-12-22(30)29(13-16)17-8-10-18(33-3)11-9-17/h4-11,15-16H,12-14H2,1-3H3
InChIKeyPFXWUMJRLIXZLW-UHFFFAOYSA-N
XLogP4.90
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 112794807
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55361290
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55498908
(3R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylsulfonyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41154787
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
(3S)-1-[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 8544669
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55875600
4-benzylsulfanyl-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 112844814
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192006
(3R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-1-oxo-N-propan-2-yl-4H-isochromene-3-carboxamide
CID 25436163
N-cyclopentyl-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 56517670
(3R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97123529

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 55542675) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CSc1ccc(N2CC(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)CC2=O)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is PFXWUMJRLIXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-15(2)28(14-21-26-27-23(32-21)19-6-4-5-7-20(19)25)24(31)16-12-22(30)29(13-16)17-8-10-18(33-3)11-9-17/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55542675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).