ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate

C13H14N2O4 — CID 139225277

IUPACethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccccc2OC)o1
InChIInChI=1S/C13H14N2O4/c1-3-18-12(16)11-8-14-13(19-11)15-9-6-4-5-7-10(9)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyJVNHIZNRIJFJLO-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate

ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate (PubChem CID 139225277) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
PubChem CID139225277
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccccc2OC)o1
InChIInChI=1S/C13H14N2O4/c1-3-18-12(16)11-8-14-13(19-11)15-9-6-4-5-7-10(9)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyJVNHIZNRIJFJLO-UHFFFAOYSA-N
XLogP2.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475762
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
CID 166475757
ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475760
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822
ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate
CID 166301274
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
1-[2-(2-methoxyphenyl)-1,3-oxazol-5-yl]ethanone
CID 115087217
ethyl 2-(2-methoxyanilino)-4-(3-methoxyanilino)pyrimidine-5-carboxylate
CID 171546729
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate (CID 139225277) is ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(Nc2ccccc2OC)o1.
What is the InChIKey of ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate?
The InChIKey is JVNHIZNRIJFJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-18-12(16)11-8-14-13(19-11)15-9-6-4-5-7-10(9)17-2/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate?
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 139225277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).