ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate

C12H10F3N3O3 — CID 146272918

IUPACethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C(F)(F)F)nn2)noc1C
InChIInChI=1S/C12H10F3N3O3/c1-3-20-11(19)9-6(2)21-18-10(9)7-4-5-8(17-16-7)12(13,14)15/h4-5H,3H2,1-2H3
InChIKeyAMRFUHCIHHGITG-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.64
Rot. Bonds3

About ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate

ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate (PubChem CID 146272918) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate
PubChem CID146272918
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Nameethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C(F)(F)F)nn2)noc1C
InChIInChI=1S/C12H10F3N3O3/c1-3-20-11(19)9-6(2)21-18-10(9)7-4-5-8(17-16-7)12(13,14)15/h4-5H,3H2,1-2H3
InChIKeyAMRFUHCIHHGITG-UHFFFAOYSA-N
XLogP2.64
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
CID 134588386
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
diethyl 2-[6-(trifluoromethyl)pyridazin-3-yl]propanedioate
CID 104573473
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
CID 102309200
ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
CID 24774502
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate (CID 146272918) is ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(C(F)(F)F)nn2)noc1C.
What is the InChIKey of ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate?
The InChIKey is AMRFUHCIHHGITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-3-20-11(19)9-6(2)21-18-10(9)7-4-5-8(17-16-7)12(13,14)15/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate has a molecular weight of 301.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 146272918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).