2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide

C24H27ClN4O3 — CID 2559931

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1
InChIInChI=1S/C24H27ClN4O3/c1-16-7-12-21(31-2)20(13-16)26-22(30)14-29(19-5-3-4-6-19)15-23-27-28-24(32-23)17-8-10-18(25)11-9-17/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,30)
InChIKeyVOCVUHHXNJMIBO-UHFFFAOYSA-N
MW454.96 g/mol
LogP5.09
Rot. Bonds8

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 2559931) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID2559931
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1
InChIInChI=1S/C24H27ClN4O3/c1-16-7-12-21(31-2)20(13-16)26-22(30)14-29(19-5-3-4-6-19)15-23-27-28-24(32-23)17-8-10-18(25)11-9-17/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,30)
InChIKeyVOCVUHHXNJMIBO-UHFFFAOYSA-N
XLogP5.09
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 2559931) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is VOCVUHHXNJMIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-16-7-12-21(31-2)20(13-16)26-22(30)14-29(19-5-3-4-6-19)15-23-27-28-24(32-23)17-8-10-18(25)11-9-17/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,30).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 454.96 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2559931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).