N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide

C13H13N3O3 — CID 44996030

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C13H13N3O3/c1-8-4-3-5-10(6-8)14-12(17)13(18)15-11-7-9(2)19-16-11/h3-7H,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyYFPHPGYKHJAMJC-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.87
Rot. Bonds2

About N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide (PubChem CID 44996030) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
PubChem CID44996030
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C13H13N3O3/c1-8-4-3-5-10(6-8)14-12(17)13(18)15-11-7-9(2)19-16-11/h3-7H,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyYFPHPGYKHJAMJC-UHFFFAOYSA-N
XLogP1.87
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-(3-methylphenyl)thiourea
CID 843903
N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508730
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108512068

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide (CID 44996030) is N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide?
The InChIKey is YFPHPGYKHJAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-4-3-5-10(6-8)14-12(17)13(18)15-11-7-9(2)19-16-11/h3-7H,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide has a molecular weight of 259.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 44996030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).