ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate

C12H11FN2O3 — CID 113377091

IUPACethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O3/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeyXBRTUHNMEMILID-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.73
Rot. Bonds4

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

ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate (PubChem CID 113377091) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
PubChem CID113377091
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Nameethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O3/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeyXBRTUHNMEMILID-UHFFFAOYSA-N
XLogP2.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377178
ethyl 2-(2,3,5,6-tetrafluoroanilino)-1,3-oxazole-4-carboxylate
CID 107645105
ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377129
ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate
CID 113377331
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
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-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
CID 113377147
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate (CID 113377091) is ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Nc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate?
The InChIKey is XBRTUHNMEMILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).