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

C15H18N4O3 — CID 91662057

IUPACN-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1
InChIInChI=1S/C15H18N4O3/c1-9-5-6-10(2)12(7-9)17-14(20)15(21)19(4)8-13-16-11(3)22-18-13/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyFXAJWUBFAYZPTL-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.59
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide (PubChem CID 91662057) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide
PubChem CID91662057
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1
InChIInChI=1S/C15H18N4O3/c1-9-5-6-10(2)12(7-9)17-14(20)15(21)19(4)8-13-16-11(3)22-18-13/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyFXAJWUBFAYZPTL-UHFFFAOYSA-N
XLogP1.59
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597
2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741958
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N-(2,5-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 9321819
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110422441
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704
3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 72869575
2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 43819055
N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide
CID 97313554
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118761101

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide (CID 91662057) is N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide is Cc1ccc(C)c(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide?
The InChIKey is FXAJWUBFAYZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-5-6-10(2)12(7-9)17-14(20)15(21)19(4)8-13-16-11(3)22-18-13/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide?
N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide has a molecular weight of 302.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide is sourced from PubChem (CID 91662057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).