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

C13H14N2O3 — CID 67353967

IUPACethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N)c(C)c2)no1
InChIInChI=1S/C13H14N2O3/c1-3-17-13(16)12-7-11(15-18-12)9-4-5-10(14)8(2)6-9/h4-7H,3,14H2,1-2H3
InChIKeyAUCHDTDLTHGRMM-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.41
Rot. Bonds3

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

ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate (PubChem CID 67353967) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
PubChem CID67353967
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N)c(C)c2)no1
InChIInChI=1S/C13H14N2O3/c1-3-17-13(16)12-7-11(15-18-12)9-4-5-10(14)8(2)6-9/h4-7H,3,14H2,1-2H3
InChIKeyAUCHDTDLTHGRMM-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate (CID 67353967) is ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(N)c(C)c2)no1.
What is the InChIKey of ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate?
The InChIKey is AUCHDTDLTHGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-17-13(16)12-7-11(15-18-12)9-4-5-10(14)8(2)6-9/h4-7H,3,14H2,1-2H3.
What are the key properties of ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate?
ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-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 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67353967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).