3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one

C11H8N4O2 — CID 56810205

IUPAC3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1Cc1ccno1
InChIInChI=1S/C11H8N4O2/c16-11-9-3-1-2-4-10(9)13-14-15(11)7-8-5-6-12-17-8/h1-6H,7H2
InChIKeyJAOGMSKLDHNNGX-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.83
Rot. Bonds2

About 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one

3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one (PubChem CID 56810205) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one
PubChem CID56810205
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1Cc1ccno1
InChIInChI=1S/C11H8N4O2/c16-11-9-3-1-2-4-10(9)13-14-15(11)7-8-5-6-12-17-8/h1-6H,7H2
InChIKeyJAOGMSKLDHNNGX-UHFFFAOYSA-N
XLogP0.83
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluorophenyl)methyl]-1,2,3-benzotriazin-4-one
CID 2988728
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
2-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]furan-3-carboxylic acid
CID 43421964
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31761006
3-[(2-amino-4-pyridinyl)methyl]-1,2,3-benzotriazin-4-one
CID 62466522
3-[[2-(aminomethyl)-4-pyridinyl]methyl]-1,2,3-benzotriazin-4-one
CID 63889226
3-(methylsulfinylmethyl)-1,2,3-benzotriazin-4-one
CID 71412255
3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyridine-2-carboxylic acid
CID 63073904
3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 47262856
3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
CID 5300896
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
2-fluoro-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzonitrile
CID 103758832

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one (CID 56810205) is 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1Cc1ccno1.
What is the InChIKey of 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is JAOGMSKLDHNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-11-9-3-1-2-4-10(9)13-14-15(11)7-8-5-6-12-17-8/h1-6H,7H2.
What are the key properties of 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one?
3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 228.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 56810205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).