N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide

C13H14N2O2 — CID 30464297

IUPACN-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2coc(C)n2)c1
InChIInChI=1S/C13H14N2O2/c1-8-4-9(2)6-11(5-8)15-13(16)12-7-17-10(3)14-12/h4-7H,1-3H3,(H,15,16)
InChIKeyHXFZQYFZEHEMLF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide

N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 30464297) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID30464297
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2coc(C)n2)c1
InChIInChI=1S/C13H14N2O2/c1-8-4-9(2)6-11(5-8)15-13(16)12-7-17-10(3)14-12/h4-7H,1-3H3,(H,15,16)
InChIKeyHXFZQYFZEHEMLF-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 100801901
N-(3,5-dimethylphenyl)-4-methylfuran-2-carboxamide
CID 110857447
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
2-methyl-1,3-oxazole-4-carboxamide
CID 10796748
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209353
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 30464297) is N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1cc(C)cc(NC(=O)c2coc(C)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is HXFZQYFZEHEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-9(2)6-11(5-8)15-13(16)12-7-17-10(3)14-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 30464297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).