3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole

C16H13N5O — CID 19817949

IUPAC3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n2cnc(-c3nc(C4CC4)no3)c12
InChIInChI=1S/C16H13N5O/c1-9-14-13(16-19-15(20-22-16)10-6-7-10)17-8-21(14)12-5-3-2-4-11(12)18-9/h2-5,8,10H,6-7H2,1H3
InChIKeyJPTFZNNPIUHZBC-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.12
Rot. Bonds2

About 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole (PubChem CID 19817949) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole
PubChem CID19817949
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n2cnc(-c3nc(C4CC4)no3)c12
InChIInChI=1S/C16H13N5O/c1-9-14-13(16-19-15(20-22-16)10-6-7-10)17-8-21(14)12-5-3-2-4-11(12)18-9/h2-5,8,10H,6-7H2,1H3
InChIKeyJPTFZNNPIUHZBC-UHFFFAOYSA-N
XLogP3.12
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole (CID 19817949) is 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole is Cc1nc2ccccc2n2cnc(-c3nc(C4CC4)no3)c12.
What is the InChIKey of 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JPTFZNNPIUHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-9-14-13(16-19-15(20-22-16)10-6-7-10)17-8-21(14)12-5-3-2-4-11(12)18-9/h2-5,8,10H,6-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19817949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).