[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C22H19N5O2 — CID 22912958

IUPAC[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc21
InChIInChI=1S/C22H19N5O2/c28-22(25-11-5-6-12-25)26-13-18-20(21-24-15-7-1-4-10-19(15)29-21)23-14-27(18)17-9-3-2-8-16(17)26/h1-4,7-10,14H,5-6,11-13H2
InChIKeyAFUKTTRZPSWSPR-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.22
Rot. Bonds1

About [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22912958) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID22912958
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc21
InChIInChI=1S/C22H19N5O2/c28-22(25-11-5-6-12-25)26-13-18-20(21-24-15-7-1-4-10-19(15)29-21)23-14-27(18)17-9-3-2-8-16(17)26/h1-4,7-10,14H,5-6,11-13H2
InChIKeyAFUKTTRZPSWSPR-UHFFFAOYSA-N
XLogP4.22
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 22912965
methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
CID 22912877
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
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
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559
3-(1,3-benzoxazol-2-yl)-8-chloro-5-(2-methoxyethanimidoyl)-8,9-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-imine
CID 135228290
[(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
[7-chloro-3-(5-propan-2-yl-2H-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 57133209
[4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 32970266
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 22912958) is [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc21.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AFUKTTRZPSWSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-22(25-11-5-6-12-25)26-13-18-20(21-24-15-7-1-4-10-19(15)29-21)23-14-27(18)17-9-3-2-8-16(17)26/h1-4,7-10,14H,5-6,11-13H2.
What are the key properties of [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.43 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22912958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).