2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide

C12H11F3N4O3 — CID 138017474

IUPAC2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCOc1nc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)co1
InChIInChI=1S/C12H11F3N4O3/c1-3-21-11-16-7(6-22-11)10(20)19(2)9-5-4-8(17-18-9)12(13,14)15/h4-6H,3H2,1-2H3
InChIKeySLEZECNXBCWLLO-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.16
Rot. Bonds4

About 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide

2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 138017474) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID138017474
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCOc1nc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)co1
InChIInChI=1S/C12H11F3N4O3/c1-3-21-11-16-7(6-22-11)10(20)19(2)9-5-4-8(17-18-9)12(13,14)15/h4-6H,3H2,1-2H3
InChIKeySLEZECNXBCWLLO-UHFFFAOYSA-N
XLogP2.16
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide (CID 138017474) is 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide is CCOc1nc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)co1.
What is the InChIKey of 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is SLEZECNXBCWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c1-3-21-11-16-7(6-22-11)10(20)19(2)9-5-4-8(17-18-9)12(13,14)15/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide?
2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138017474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).