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

C13H14N2O2 — CID 110857256

IUPACN-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2conc2C)c1
InChIInChI=1S/C13H14N2O2/c1-8-4-5-9(2)12(6-8)14-13(16)11-7-17-15-10(11)3/h4-7H,1-3H3,(H,14,16)
InChIKeyXCJCOZJHASMWMQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110857256) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID110857256
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2conc2C)c1
InChIInChI=1S/C13H14N2O2/c1-8-4-5-9(2)12(6-8)14-13(16)11-7-17-15-10(11)3/h4-7H,1-3H3,(H,14,16)
InChIKeyXCJCOZJHASMWMQ-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-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
N-(5-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771839
2,4-dimethyl-N-(4-methyl-1,2-oxazol-3-yl)benzamide
CID 152916731
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387954
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 110857256) is N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2conc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XCJCOZJHASMWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-5-9(2)12(6-8)14-13(16)11-7-17-15-10(11)3/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-(2,5-dimethylphenyl)-3-methyl-1,2-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-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110857256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).