2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

C19H19N3O3 — CID 167782573

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CC(C)Nc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-12-11-22(16-7-4-3-6-14(16)20-12)18(23)10-15-13(2)25-19(21-15)17-8-5-9-24-17/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJEVRQFWIIIZUKN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.63
Rot. Bonds3

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (PubChem CID 167782573) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
PubChem CID167782573
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CC(C)Nc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-12-11-22(16-7-4-3-6-14(16)20-12)18(23)10-15-13(2)25-19(21-15)17-8-5-9-24-17/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJEVRQFWIIIZUKN-UHFFFAOYSA-N
XLogP3.63
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 126779062
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
1-[(2S,3S)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 95974200
1-[(2R,3S)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 95974199
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride
CID 119637637
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397285
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120553081
(3aS,6aR)-2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683890
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119427221
2-[(2S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]acetamide
CID 95296870

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (CID 167782573) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is Cc1oc(-c2ccco2)nc1CC(=O)N1CC(C)Nc2ccccc21.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The InChIKey is JEVRQFWIIIZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-11-22(16-7-4-3-6-14(16)20-12)18(23)10-15-13(2)25-19(21-15)17-8-5-9-24-17/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is sourced from PubChem (CID 167782573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).