[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium

C21H24N5O4+ — CID 8689488

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium
SMILESCCC[NH+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C21H23N5O4/c1-3-10-25(13-19-23-24-20(30-19)17-9-6-11-29-17)14(2)21(28)26-12-18(27)22-15-7-4-5-8-16(15)26/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,22,27)/p+1/t14-/m0/s1
InChIKeyVBHOHHFEEOXBJH-AWEZNQCLSA-O
MW410.45 g/mol
LogP1.50
Rot. Bonds7

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium (PubChem CID 8689488) has the molecular formula C21H24N5O4+ and a molecular weight of 410.45 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium
PubChem CID8689488
Molecular FormulaC21H24N5O4+
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium
SMILESCCC[NH+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C21H23N5O4/c1-3-10-25(13-19-23-24-20(30-19)17-9-6-11-29-17)14(2)21(28)26-12-18(27)22-15-7-4-5-8-16(15)26/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,22,27)/p+1/t14-/m0/s1
InChIKeyVBHOHHFEEOXBJH-AWEZNQCLSA-O
XLogP1.50
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 8689255
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9370905
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]-propylazanium
CID 9370920
5-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 18226758
4-[(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8547152
4-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2464731
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7273063
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(2-methylfuran-3-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 124615475
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8911016
[(1S)-1-(4-bromophenyl)propyl]-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8643558

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium (CID 8689488) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium is CCC[NH+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium?
The InChIKey is VBHOHHFEEOXBJH-AWEZNQCLSA-O. The full InChI is InChI=1S/C21H23N5O4/c1-3-10-25(13-19-23-24-20(30-19)17-9-6-11-29-17)14(2)21(28)26-12-18(27)22-15-7-4-5-8-16(15)26/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,22,27)/p+1/t14-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium has a molecular weight of 410.45 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]-propylazanium is sourced from PubChem (CID 8689488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).