5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one

C18H16N4O2 — CID 67466692

IUPAC5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESCCC1NC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C18H16N4O2/c1-2-13-16(21-22-18(23)20-13)12-8-9-14-15(10-12)24-17(19-14)11-6-4-3-5-7-11/h3-10,13H,2H2,1H3,(H2,20,22,23)
InChIKeyOGSZKUMDYPXDNV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.29
Rot. Bonds3

About 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one

5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one (PubChem CID 67466692) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one
PubChem CID67466692
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESCCC1NC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C18H16N4O2/c1-2-13-16(21-22-18(23)20-13)12-8-9-14-15(10-12)24-17(19-14)11-6-4-3-5-7-11/h3-10,13H,2H2,1H3,(H2,20,22,23)
InChIKeyOGSZKUMDYPXDNV-UHFFFAOYSA-N
XLogP3.29
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one (CID 67466692) is 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one is CCC1NC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one?
The InChIKey is OGSZKUMDYPXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-13-16(21-22-18(23)20-13)12-8-9-14-15(10-12)24-17(19-14)11-6-4-3-5-7-11/h3-10,13H,2H2,1H3,(H2,20,22,23).
What are the key properties of 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one?
5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one has a molecular weight of 320.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 67466692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).