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

C21H23N3O3 — CID 126779062

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CC(C(C)C)Nc2ccccc21
InChIInChI=1S/C21H23N3O3/c1-13(2)17-12-24(18-8-5-4-7-15(18)22-17)20(25)11-16-14(3)27-21(23-16)19-9-6-10-26-19/h4-10,13,17,22H,11-12H2,1-3H3
InChIKeyBWLNEGKXXPUKMQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.27
Rot. Bonds4

About 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

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 (PubChem CID 126779062) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
PubChem CID126779062
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CC(C(C)C)Nc2ccccc21
InChIInChI=1S/C21H23N3O3/c1-13(2)17-12-24(18-8-5-4-7-15(18)22-17)20(25)11-16-14(3)27-21(23-16)19-9-6-10-26-19/h4-10,13,17,22H,11-12H2,1-3H3
InChIKeyBWLNEGKXXPUKMQ-UHFFFAOYSA-N
XLogP4.27
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
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
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114
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]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
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
(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
1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96570260
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119427221
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1oc(-c2ccco2)nc1CC(=O)N1CC(C(C)C)Nc2ccccc21.
What is the InChIKey of 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?
The InChIKey is BWLNEGKXXPUKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)17-12-24(18-8-5-4-7-15(18)22-17)20(25)11-16-14(3)27-21(23-16)19-9-6-10-26-19/h4-10,13,17,22H,11-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 365.43 g/mol, XLogP of 4.27, 4 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-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is sourced from PubChem (CID 126779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).