[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

C16H23N4O3+ — CID 8689255

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
SMILESCCC[NH+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C16H22N4O3/c1-3-8-20(11(2)15(21)17-12-6-7-12)10-14-18-19-16(23-14)13-5-4-9-22-13/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,17,21)/p+1/t11-/m0/s1
InChIKeyJTYZQXXPNBJNHS-NSHDSACASA-O
MW319.38 g/mol
LogP0.79
Rot. Bonds8

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (PubChem CID 8689255) has the molecular formula C16H23N4O3+ and a molecular weight of 319.38 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
PubChem CID8689255
Molecular FormulaC16H23N4O3+
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
SMILESCCC[NH+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C16H22N4O3/c1-3-8-20(11(2)15(21)17-12-6-7-12)10-14-18-19-16(23-14)13-5-4-9-22-13/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,17,21)/p+1/t11-/m0/s1
InChIKeyJTYZQXXPNBJNHS-NSHDSACASA-O
XLogP0.79
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(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-(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
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9044641
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9044625
(2R)-N-cyclopentyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2472133
N-(cyclopentylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9370702
[2-(4-tert-butylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371226
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 8689619
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371191
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371073
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium
CID 8689630

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (CID 8689255) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is CCC[NH+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?
The InChIKey is JTYZQXXPNBJNHS-NSHDSACASA-O. The full InChI is InChI=1S/C16H22N4O3/c1-3-8-20(11(2)15(21)17-12-6-7-12)10-14-18-19-16(23-14)13-5-4-9-22-13/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,17,21)/p+1/t11-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium has a molecular weight of 319.38 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is sourced from PubChem (CID 8689255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).