6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one

C21H19FN4O2 — CID 53065215

IUPAC6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one
SMILESCc1nc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc2n(C(C)C)c1=O
InChIInChI=1S/C21H19FN4O2/c1-12(2)26-18-9-6-15(11-17(18)23-13(3)21(26)27)20-24-19(28-25-20)10-14-4-7-16(22)8-5-14/h4-9,11-12H,10H2,1-3H3
InChIKeyGHNGDXLOGKQBEB-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.07
Rot. Bonds4

About 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one

6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one (PubChem CID 53065215) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one.

Molecular Properties

Compound Name6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one
PubChem CID53065215
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one
SMILESCc1nc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc2n(C(C)C)c1=O
InChIInChI=1S/C21H19FN4O2/c1-12(2)26-18-9-6-15(11-17(18)23-13(3)21(26)27)20-24-19(28-25-20)10-14-4-7-16(22)8-5-14/h4-9,11-12H,10H2,1-3H3
InChIKeyGHNGDXLOGKQBEB-UHFFFAOYSA-N
XLogP4.07
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one with MolForge

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Related Compounds

N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53065210
7-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005960
5-[(4-fluorophenyl)methyl]-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172648
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 50806792
3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
CID 53065217
6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
CID 53065145
N-[4-[[3-(2,3-dioxo-1-propan-2-yl-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53065466
5-[(4-fluorophenyl)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030926
2-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179946
7-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53065522
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
3-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031728

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one?
The IUPAC name of 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one (CID 53065215) is 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one.
What is the SMILES notation for 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one?
The canonical SMILES for 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one is Cc1nc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc2n(C(C)C)c1=O.
What is the InChIKey of 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one?
The InChIKey is GHNGDXLOGKQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12(2)26-18-9-6-15(11-17(18)23-13(3)21(26)27)20-24-19(28-25-20)10-14-4-7-16(22)8-5-14/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one?
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one has a molecular weight of 378.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one is sourced from PubChem (CID 53065215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).