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

C12H10ClFN2O3 — CID 113377178

IUPACethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H10ClFN2O3/c1-2-18-11(17)10-6-19-12(16-10)15-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMKICVMQGMGIDFG-UHFFFAOYSA-N
MW284.67 g/mol
LogP3.39
Rot. Bonds4

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

ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate (PubChem CID 113377178) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
PubChem CID113377178
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Nameethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H10ClFN2O3/c1-2-18-11(17)10-6-19-12(16-10)15-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMKICVMQGMGIDFG-UHFFFAOYSA-N
XLogP3.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(2,3,5,6-tetrafluoroanilino)-1,3-oxazole-4-carboxylate
CID 107645105
ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate
CID 113377331
ethyl 2-amino-5-(4-chloro-3-fluoroanilino)benzoate
CID 63423525
ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377129
ethyl 2-[(3-chloro-4-methylsulfonylphenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 146092575
ethyl 2-amino-3-(4-chloro-3-fluoroanilino)benzoate
CID 115545226
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate (CID 113377178) is ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Nc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate?
The InChIKey is MKICVMQGMGIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-2-18-11(17)10-6-19-12(16-10)15-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate has a molecular weight of 284.67 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).