4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide

C12H6F3N3O3 — CID 70609955

IUPAC4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide
SMILESNC(=O)c1ncc2c(=O)oc3ccc(C(F)(F)F)cc3n12
InChIInChI=1S/C12H6F3N3O3/c13-12(14,15)5-1-2-8-6(3-5)18-7(11(20)21-8)4-17-10(18)9(16)19/h1-4H,(H2,16,19)
InChIKeyBZACCCWHFROCFK-UHFFFAOYSA-N
MW297.19 g/mol
LogP1.56
Rot. Bonds1

About 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide

4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide (PubChem CID 70609955) has the molecular formula C12H6F3N3O3 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide
PubChem CID70609955
Molecular FormulaC12H6F3N3O3
Molecular Weight297.19 g/mol
Exact Mass297.04
IUPAC Name4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide
SMILESNC(=O)c1ncc2c(=O)oc3ccc(C(F)(F)F)cc3n12
InChIInChI=1S/C12H6F3N3O3/c13-12(14,15)5-1-2-8-6(3-5)18-7(11(20)21-8)4-17-10(18)9(16)19/h1-4H,(H2,16,19)
InChIKeyBZACCCWHFROCFK-UHFFFAOYSA-N
XLogP1.56
TPSA90.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide?
The IUPAC name of 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide (CID 70609955) is 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide.
What is the SMILES notation for 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide?
The canonical SMILES for 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide is NC(=O)c1ncc2c(=O)oc3ccc(C(F)(F)F)cc3n12.
What is the InChIKey of 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide?
The InChIKey is BZACCCWHFROCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O3/c13-12(14,15)5-1-2-8-6(3-5)18-7(11(20)21-8)4-17-10(18)9(16)19/h1-4H,(H2,16,19).
What are the key properties of 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide?
4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide has a molecular weight of 297.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-(trifluoromethyl)imidazo[5,1-c][1,4]benzoxazine-1-carboxamide is sourced from PubChem (CID 70609955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).