N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

C19H18N4O4 — CID 48729981

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2c(-c3ccccc3)noc2=O)c(C)c1
InChIInChI=1S/C19H18N4O4/c1-12-8-9-15(13(2)10-12)20-18(25)21-16(24)11-23-17(22-27-19(23)26)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,20,21,24,25)
InChIKeyIIGRJEMLNXIKLM-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.47
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 48729981) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID48729981
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2c(-c3ccccc3)noc2=O)c(C)c1
InChIInChI=1S/C19H18N4O4/c1-12-8-9-15(13(2)10-12)20-18(25)21-16(24)11-23-17(22-27-19(23)26)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,20,21,24,25)
InChIKeyIIGRJEMLNXIKLM-UHFFFAOYSA-N
XLogP2.47
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 48729981) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is Cc1ccc(NC(=O)NC(=O)Cn2c(-c3ccccc3)noc2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is IIGRJEMLNXIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12-8-9-15(13(2)10-12)20-18(25)21-16(24)11-23-17(22-27-19(23)26)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,20,21,24,25).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 48729981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).