4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole

C17H15FN4O — CID 42629473

IUPAC4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C)c2c(C)nc3ccc(F)cc3n12
InChIInChI=1S/C17H15FN4O/c1-8-15(11(4)23-21-8)17-20-10(3)16-9(2)19-13-6-5-12(18)7-14(13)22(16)17/h5-7H,1-4H3
InChIKeyWCPBXUWEMOAXTP-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.91
Rot. Bonds1

About 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole

4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 42629473) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID42629473
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C)c2c(C)nc3ccc(F)cc3n12
InChIInChI=1S/C17H15FN4O/c1-8-15(11(4)23-21-8)17-20-10(3)16-9(2)19-13-6-5-12(18)7-14(13)22(16)17/h5-7H,1-4H3
InChIKeyWCPBXUWEMOAXTP-UHFFFAOYSA-N
XLogP3.91
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole (CID 42629473) is 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1nc(C)c2c(C)nc3ccc(F)cc3n12.
What is the InChIKey of 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is WCPBXUWEMOAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-8-15(11(4)23-21-8)17-20-10(3)16-9(2)19-13-6-5-12(18)7-14(13)22(16)17/h5-7H,1-4H3.
What are the key properties of 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole?
4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 310.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxalin-1-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 42629473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).