ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate

C12H12N2O3 — CID 4962898

IUPACethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1-c1ccccc1
InChIInChI=1S/C12H12N2O3/c1-2-16-12(15)10-9(11(13)17-14-10)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChIKeyVSCAOMUSYLNUIK-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.10
Rot. Bonds3

About ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate

ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 4962898) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate
PubChem CID4962898
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1-c1ccccc1
InChIInChI=1S/C12H12N2O3/c1-2-16-12(15)10-9(11(13)17-14-10)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChIKeyVSCAOMUSYLNUIK-UHFFFAOYSA-N
XLogP2.10
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate
CID 4355579
2-{4-[5-Amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10221600
3-Isoxazolecarboxylic acid, 4-benzoyl-5-methyl-, ethyl ester
CID 28483
1-Adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 154699180
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
CID 22832030
Ethyl 5-phenylisoxazole-3-carboxylate
CID 571142
Methyl 5-(4-methylphenyl)isoxazole-3-carboxylate
CID 3154110
Ethyl 5-amino-4-(4-fluorophenyl)-3-isoxazolecarboxylate
CID 19768737
Ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate
CID 8832124
Ethyl 5-(3-fluorophenyl)isoxazole-3-carboxylate
CID 22831984

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate (CID 4962898) is ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(N)c1-c1ccccc1.
What is the InChIKey of ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is VSCAOMUSYLNUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-16-12(15)10-9(11(13)17-14-10)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate?
ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 4962898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).