ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate

C13H14N2O3 — CID 66008471

IUPACethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2C)oc1N
InChIInChI=1S/C13H14N2O3/c1-3-17-13(16)10-11(14)18-12(15-10)9-7-5-4-6-8(9)2/h4-7H,3,14H2,1-2H3
InChIKeyQMMKQMJLULYFJY-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.41
Rot. Bonds3

About ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 66008471) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID66008471
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2C)oc1N
InChIInChI=1S/C13H14N2O3/c1-3-17-13(16)10-11(14)18-12(15-10)9-7-5-4-6-8(9)2/h4-7H,3,14H2,1-2H3
InChIKeyQMMKQMJLULYFJY-UHFFFAOYSA-N
XLogP2.41
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 81262078
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 107967052
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
CID 66008266
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 5-amino-2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxylate
CID 66010372
ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 66126518
ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 107984229
ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
CID 54491280
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
[4-methyl-2-(2-methylphenyl)-1,3-oxazol-5-yl] hydrogen carbonate
CID 70968115

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate (CID 66008471) is ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2C)oc1N.
What is the InChIKey of ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is QMMKQMJLULYFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-17-13(16)10-11(14)18-12(15-10)9-7-5-4-6-8(9)2/h4-7H,3,14H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66008471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).