methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate

C13H14N2O3 — CID 82086058

IUPACmethyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(N)c1-c1ccc(C)cc1C
InChIInChI=1S/C13H14N2O3/c1-7-4-5-9(8(2)6-7)10-11(13(16)17-3)15-18-12(10)14/h4-6H,14H2,1-3H3
InChIKeyCFJIFPGJKQDQJW-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.33
Rot. Bonds2

About methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate

methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 82086058) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
PubChem CID82086058
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(N)c1-c1ccc(C)cc1C
InChIInChI=1S/C13H14N2O3/c1-7-4-5-9(8(2)6-7)10-11(13(16)17-3)15-18-12(10)14/h4-6H,14H2,1-3H3
InChIKeyCFJIFPGJKQDQJW-UHFFFAOYSA-N
XLogP2.33
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-4-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086057
5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82082347
4-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 82086131
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82469635
5-(2,4-dimethylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
CID 82082017
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
methyl 3-amino-5-(2-hydroxy-5-methylphenyl)-1,2-oxazole-4-carboxylate
CID 139223112
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
ethyl 5-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
CID 82366459
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate (CID 82086058) is methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1noc(N)c1-c1ccc(C)cc1C.
What is the InChIKey of methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is CFJIFPGJKQDQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-4-5-9(8(2)6-7)10-11(13(16)17-3)15-18-12(10)14/h4-6H,14H2,1-3H3.
What are the key properties of methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 82086058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).