7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione

C17H11FN4O3 — CID 53065390

IUPAC7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2cc(-c3noc(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C17H11FN4O3/c1-22-13-6-5-9(8-12(13)19-15(23)17(22)24)14-20-16(25-21-14)10-3-2-4-11(18)7-10/h2-8H,1H3,(H,19,23)
InChIKeyAZNXCCMUEGSTPG-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.08
Rot. Bonds2

About 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione

7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione (PubChem CID 53065390) has the molecular formula C17H11FN4O3 and a molecular weight of 338.30 g/mol. Its IUPAC name is 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione
PubChem CID53065390
Molecular FormulaC17H11FN4O3
Molecular Weight338.30 g/mol
Exact Mass338.08
IUPAC Name7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2cc(-c3noc(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C17H11FN4O3/c1-22-13-6-5-9(8-12(13)19-15(23)17(22)24)14-20-16(25-21-14)10-3-2-4-11(18)7-10/h2-8H,1H3,(H,19,23)
InChIKeyAZNXCCMUEGSTPG-UHFFFAOYSA-N
XLogP2.08
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065561
7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065581
7-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-propyl-1H-quinoxaline-2,3-dione
CID 53065576
7-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005967
N-[3-[3-(2,3-dioxo-1-propyl-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53065568
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065747
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 50806792
7-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-4-ethyl-1H-quinoxaline-2,3-dione
CID 53005944
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol
CID 156522276

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione (CID 53065390) is 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione is Cn1c(=O)c(=O)[nH]c2cc(-c3noc(-c4cccc(F)c4)n3)ccc21.
What is the InChIKey of 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione?
The InChIKey is AZNXCCMUEGSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O3/c1-22-13-6-5-9(8-12(13)19-15(23)17(22)24)14-20-16(25-21-14)10-3-2-4-11(18)7-10/h2-8H,1H3,(H,19,23).
What are the key properties of 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione?
7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione has a molecular weight of 338.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 53065390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).