N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide

C13H13ClN4O3 — CID 84584328

IUPACN'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
SMILESCc1noc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H13ClN4O3/c1-7-5-9(14)3-4-10(7)17-13(20)12(19)15-6-11-16-8(2)18-21-11/h3-5H,6H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyGAGRWJIJFSQQPZ-UHFFFAOYSA-N
MW308.73 g/mol
LogP1.59
Rot. Bonds3

About N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide

N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide (PubChem CID 84584328) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
PubChem CID84584328
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
SMILESCc1noc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H13ClN4O3/c1-7-5-9(14)3-4-10(7)17-13(20)12(19)15-6-11-16-8(2)18-21-11/h3-5H,6H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyGAGRWJIJFSQQPZ-UHFFFAOYSA-N
XLogP1.59
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide (CID 84584328) is N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide is Cc1noc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide?
The InChIKey is GAGRWJIJFSQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-7-5-9(14)3-4-10(7)17-13(20)12(19)15-6-11-16-8(2)18-21-11/h3-5H,6H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide?
N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide has a molecular weight of 308.73 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide is sourced from PubChem (CID 84584328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).