ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate

C13H15N3O3 — CID 113377147

IUPACethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCCc2ccncc2)n1
InChIInChI=1S/C13H15N3O3/c1-2-18-12(17)11-9-19-13(16-11)15-8-5-10-3-6-14-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,15,16)
InChIKeyXRCWQLKLSUCQEW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.90
Rot. Bonds6

About ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate

ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate (PubChem CID 113377147) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
PubChem CID113377147
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCCc2ccncc2)n1
InChIInChI=1S/C13H15N3O3/c1-2-18-12(17)11-9-19-13(16-11)15-8-5-10-3-6-14-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,15,16)
InChIKeyXRCWQLKLSUCQEW-UHFFFAOYSA-N
XLogP1.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
ethyl 2-[3-(cyclopropylamino)propylamino]-1,3-oxazole-4-carboxylate
CID 113377151
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-1,3-oxazole-4-carboxylate
CID 107153189
1-[2-[(4-ethoxycarbonyl-1,3-oxazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498278

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate (CID 113377147) is ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NCCc2ccncc2)n1.
What is the InChIKey of ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate?
The InChIKey is XRCWQLKLSUCQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-18-12(17)11-9-19-13(16-11)15-8-5-10-3-6-14-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate?
ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).