2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole

C23H16FN3OS — CID 167344245

IUPAC2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(C)s4)nc3c2)o1
InChIInChI=1S/C23H16FN3OS/c1-13-12-25-23(28-13)16-6-9-18-19(11-16)27-22(20-10-3-14(2)29-20)21(26-18)15-4-7-17(24)8-5-15/h3-12H,1-2H3
InChIKeyOFFZUDMURMOIDA-UHFFFAOYSA-N
MW401.47 g/mol
LogP6.44
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole

2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole (PubChem CID 167344245) has the molecular formula C23H16FN3OS and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole
PubChem CID167344245
Molecular FormulaC23H16FN3OS
Molecular Weight401.47 g/mol
Exact Mass401.10
IUPAC Name2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(C)s4)nc3c2)o1
InChIInChI=1S/C23H16FN3OS/c1-13-12-25-23(28-13)16-6-9-18-19(11-16)27-22(20-10-3-14(2)29-20)21(26-18)15-4-7-17(24)8-5-15/h3-12H,1-2H3
InChIKeyOFFZUDMURMOIDA-UHFFFAOYSA-N
XLogP6.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole (CID 167344245) is 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole is Cc1cnc(-c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(C)s4)nc3c2)o1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole?
The InChIKey is OFFZUDMURMOIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3OS/c1-13-12-25-23(28-13)16-6-9-18-19(11-16)27-22(20-10-3-14(2)29-20)21(26-18)15-4-7-17(24)8-5-15/h3-12H,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole?
2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole has a molecular weight of 401.47 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)quinoxalin-6-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 167344245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).