3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one

C16H14N4O2 — CID 171358370

IUPAC3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc(Cn2c(=O)c3c(C)ncn3c3ccccc32)no1
InChIInChI=1S/C16H14N4O2/c1-10-7-12(18-22-10)8-19-13-5-3-4-6-14(13)20-9-17-11(2)15(20)16(19)21/h3-7,9H,8H2,1-2H3
InChIKeyIQDOFMVAWPILPW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one

3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 171358370) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID171358370
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc(Cn2c(=O)c3c(C)ncn3c3ccccc32)no1
InChIInChI=1S/C16H14N4O2/c1-10-7-12(18-22-10)8-19-13-5-3-4-6-14(13)20-9-17-11(2)15(20)16(19)21/h3-7,9H,8H2,1-2H3
InChIKeyIQDOFMVAWPILPW-UHFFFAOYSA-N
XLogP2.30
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one (CID 171358370) is 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one is Cc1cc(Cn2c(=O)c3c(C)ncn3c3ccccc32)no1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is IQDOFMVAWPILPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-7-12(18-22-10)8-19-13-5-3-4-6-14(13)20-9-17-11(2)15(20)16(19)21/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one?
3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 171358370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).