ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate

C16H19BrN2O3 — CID 168985682

IUPACethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate
SMILESCCCN(c1nc(C(=O)OCC)co1)c1cc(Br)ccc1C
InChIInChI=1S/C16H19BrN2O3/c1-4-8-19(14-9-12(17)7-6-11(14)3)16-18-13(10-22-16)15(20)21-5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySNXMPGLHXITQFZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.47
Rot. Bonds6

About ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate

ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate (PubChem CID 168985682) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate
PubChem CID168985682
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Nameethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate
SMILESCCCN(c1nc(C(=O)OCC)co1)c1cc(Br)ccc1C
InChIInChI=1S/C16H19BrN2O3/c1-4-8-19(14-9-12(17)7-6-11(14)3)16-18-13(10-22-16)15(20)21-5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySNXMPGLHXITQFZ-UHFFFAOYSA-N
XLogP4.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
CID 103496481
Ethyl 2-[(3-fluorophenyl)methyl-methylamino]-1,3-oxazole-4-carboxylate
CID 104113131
Ethyl 2-[(2-fluorophenyl)methyl-methylamino]-1,3-oxazole-4-carboxylate
CID 104113422
Ethyl 2-[(4-fluorophenyl)methyl-methylamino]-1,3-oxazole-4-carboxylate
CID 104113424
ethyl 2-(N-ethyl-3-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 104113775
ethyl 2-(N-ethyl-2-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 104113854
ethyl 2-(N-ethyl-4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 104113856
Ethyl 2-[1-(2-fluorophenyl)ethyl-methylamino]-1,3-oxazole-4-carboxylate
CID 104114008
Ethyl 2-[(2-bromo-5-fluorophenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 104114887
Ethyl 2-[(5-bromo-2-fluorophenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 104114896
Ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-1,3-oxazole-4-carboxylate
CID 107592856
Ethyl 2-(5-bromo-2-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377132

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate (CID 168985682) is ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate is CCCN(c1nc(C(=O)OCC)co1)c1cc(Br)ccc1C.
What is the InChIKey of ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate?
The InChIKey is SNXMPGLHXITQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-4-8-19(14-9-12(17)7-6-11(14)3)16-18-13(10-22-16)15(20)21-5-2/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate?
ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate has a molecular weight of 367.24 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 168985682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).