[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C23H27ClN6O2 — CID 54061109

IUPAC[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1nc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C23H27ClN6O2/c1-22(2,3)20-26-19(27-32-20)16-18-23(4,5)30(21(31)28-11-6-7-12-28)17-14(24)9-8-10-15(17)29(18)13-25-16/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyLZTJBEPYQAIXDU-UHFFFAOYSA-N
MW454.96 g/mol
LogP5.14
Rot. Bonds1

About [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 54061109) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID54061109
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1nc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C23H27ClN6O2/c1-22(2,3)20-26-19(27-32-20)16-18-23(4,5)30(21(31)28-11-6-7-12-28)17-14(24)9-8-10-15(17)29(18)13-25-16/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyLZTJBEPYQAIXDU-UHFFFAOYSA-N
XLogP5.14
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 22912954
[6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 10501746
[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 10810194
[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone
CID 23371689
tert-butyl 6-chloro-5-(dimethylcarbamoyl)-4,4-dimethylimidazo[1,5-a]quinoxaline-3-carboxylate
CID 22912879
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][4,1]benzoxazepin-6-one
CID 54419033
tert-butyl 6-chloro-5-(pyrrolidine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 22912835
3-[(9R)-13-chloro-9-methyl-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,10,13,15-hexaen-5-yl]-5-cyclopropyl-1,2,4-oxadiazole
CID 10429004
3-[5-(4-amino-2,6-dimethylheptan-4-yl)-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70075659
[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 54186227
piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 22912973
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129

Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 54061109) is [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)c1nc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2c(Cl)cccc2-3)no1.
What is the InChIKey of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LZTJBEPYQAIXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c1-22(2,3)20-26-19(27-32-20)16-18-23(4,5)30(21(31)28-11-6-7-12-28)17-14(24)9-8-10-15(17)29(18)13-25-16/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 454.96 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 54061109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).