5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one

C17H15F3N2O4 — CID 3236956

IUPAC5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)o1
InChIInChI=1S/C17H15F3N2O4/c1-9-7-8-11(26-9)13-12(14(23)10-5-3-2-4-6-10)16(25,17(18,19)20)22-15(24)21-13/h2-8,12-13,25H,1H3,(H2,21,22,24)
InChIKeyBXZOMEVXBOXWEF-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.69
Rot. Bonds3

About 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one

5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 3236956) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID3236956
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)o1
InChIInChI=1S/C17H15F3N2O4/c1-9-7-8-11(26-9)13-12(14(23)10-5-3-2-4-6-10)16(25,17(18,19)20)22-15(24)21-13/h2-8,12-13,25H,1H3,(H2,21,22,24)
InChIKeyBXZOMEVXBOXWEF-UHFFFAOYSA-N
XLogP2.69
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 3236956) is 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one is Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)o1.
What is the InChIKey of 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is BXZOMEVXBOXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-9-7-8-11(26-9)13-12(14(23)10-5-3-2-4-6-10)16(25,17(18,19)20)22-15(24)21-13/h2-8,12-13,25H,1H3,(H2,21,22,24).
What are the key properties of 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 368.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-hydroxy-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3236956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).