ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate

C13H13ClN2O3 — CID 113377331

IUPACethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C13H13ClN2O3/c1-3-18-12(17)10-7-19-13(15-10)16-11-8(2)5-4-6-9(11)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUMQKWGDWALLADM-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.56
Rot. Bonds4

About ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate

ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate (PubChem CID 113377331) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate
PubChem CID113377331
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Nameethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C13H13ClN2O3/c1-3-18-12(17)10-7-19-13(15-10)16-11-8(2)5-4-6-9(11)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyUMQKWGDWALLADM-UHFFFAOYSA-N
XLogP3.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.56
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-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
ethyl 2-[(3-chloro-4-methylsulfonylphenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 146092575
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 113377130
ethyl 2-[(1-methylpyrazol-4-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377129
ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
CID 113377147
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate (CID 113377331) is ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Nc2c(C)cccc2Cl)n1.
What is the InChIKey of ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate?
The InChIKey is UMQKWGDWALLADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-3-18-12(17)10-7-19-13(15-10)16-11-8(2)5-4-6-9(11)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate?
ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate has a molecular weight of 280.71 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-methylanilino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).