methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate

C19H19N5O3 — CID 10067398

IUPACmethyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C
InChIInChI=1S/C19H19N5O3/c1-19(2)15-14(16-21-17(27-22-16)11-8-9-11)20-10-23(15)12-6-4-5-7-13(12)24(19)18(25)26-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyKNMWFESCWXOKNN-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.62
Rot. Bonds2

About methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate

methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 10067398) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate
PubChem CID10067398
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Namemethyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C
InChIInChI=1S/C19H19N5O3/c1-19(2)15-14(16-21-17(27-22-16)11-8-9-11)20-10-23(15)12-6-4-5-7-13(12)24(19)18(25)26-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyKNMWFESCWXOKNN-UHFFFAOYSA-N
XLogP3.62
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate (CID 10067398) is methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate is COC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C.
What is the InChIKey of methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is KNMWFESCWXOKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-19(2)15-14(16-21-17(27-22-16)11-8-9-11)20-10-23(15)12-6-4-5-7-13(12)24(19)18(25)26-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate?
methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 10067398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).