3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one

C17H11FN4O2 — CID 31761006

IUPAC3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H11FN4O2/c18-12-7-5-11(6-8-12)16-19-13(10-24-16)9-22-17(23)14-3-1-2-4-15(14)20-21-22/h1-8,10H,9H2
InChIKeyYAUUUNWKYCNFTE-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.63
Rot. Bonds3

About 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one (PubChem CID 31761006) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one
PubChem CID31761006
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H11FN4O2/c18-12-7-5-11(6-8-12)16-19-13(10-24-16)9-22-17(23)14-3-1-2-4-15(14)20-21-22/h1-8,10H,9H2
InChIKeyYAUUUNWKYCNFTE-UHFFFAOYSA-N
XLogP2.63
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.63
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
3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one
CID 56810205
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 31781728
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 32514917
3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2078649
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
CID 18282371
N-[(4-fluorophenyl)methyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 23770253
4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24667575
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
2-(4-fluorophenyl)-4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,3-oxazole
CID 31673406
2-(4-fluorophenyl)-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-oxazole
CID 42943788
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
CID 18288236

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one (CID 31761006) is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is YAUUUNWKYCNFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-12-7-5-11(6-8-12)16-19-13(10-24-16)9-22-17(23)14-3-1-2-4-15(14)20-21-22/h1-8,10H,9H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one?
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 322.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 31761006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).