methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate

C19H14N4O3 — CID 22912877

IUPACmethyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc21
InChIInChI=1S/C19H14N4O3/c1-25-19(24)22-10-15-17(18-21-12-6-2-5-9-16(12)26-18)20-11-23(15)14-8-4-3-7-13(14)22/h2-9,11H,10H2,1H3
InChIKeyYKYUWRBVSIUOQE-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.77
Rot. Bonds1

About methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate

methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 22912877) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
PubChem CID22912877
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Namemethyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc21
InChIInChI=1S/C19H14N4O3/c1-25-19(24)22-10-15-17(18-21-12-6-2-5-9-16(12)26-18)20-11-23(15)14-8-4-3-7-13(14)22/h2-9,11H,10H2,1H3
InChIKeyYKYUWRBVSIUOQE-UHFFFAOYSA-N
XLogP3.77
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 22912958
[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 22912965
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
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methoxy-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 15268196
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
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
methyl 1-(1,3-benzoxazol-2-yl)cyclobutane-1-carboxylate
CID 116999937
N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 10815304
methyl 4-[4-(1,3-benzoxazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]benzoate
CID 135521114
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
CID 23934647
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate (CID 22912877) is methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate is COC(=O)N1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc21.
What is the InChIKey of methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is YKYUWRBVSIUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-25-19(24)22-10-15-17(18-21-12-6-2-5-9-16(12)26-18)20-11-23(15)14-8-4-3-7-13(14)22/h2-9,11H,10H2,1H3.
What are the key properties of methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 346.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 22912877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).