[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium

C18H21N4O3S+ — CID 2085630

IUPAC[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1
InChIInChI=1S/C18H20N4O3S/c1-22(2)14(13-7-4-3-5-8-13)11-19-16(23)12-26-18-21-20-17(25-18)15-9-6-10-24-15/h3-10,14H,11-12H2,1-2H3,(H,19,23)/p+1/t14-/m0/s1
InChIKeyMCOGYJKVEWZQRB-AWEZNQCLSA-O
MW373.46 g/mol
LogP1.42
Rot. Bonds8

About [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium

[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium (PubChem CID 2085630) has the molecular formula C18H21N4O3S+ and a molecular weight of 373.46 g/mol. Its IUPAC name is [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium
PubChem CID2085630
Molecular FormulaC18H21N4O3S+
Molecular Weight373.46 g/mol
Exact Mass373.13
IUPAC Name[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1
InChIInChI=1S/C18H20N4O3S/c1-22(2)14(13-7-4-3-5-8-13)11-19-16(23)12-26-18-21-20-17(25-18)15-9-6-10-24-15/h3-10,14H,11-12H2,1-2H3,(H,19,23)/p+1/t14-/m0/s1
InChIKeyMCOGYJKVEWZQRB-AWEZNQCLSA-O
XLogP1.42
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

dimethyl-[(1R)-2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]azanium
CID 7418203
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7594736
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8663194
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2399025
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8663213
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7374133
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7376830
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 7808654

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium (CID 2085630) is [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1.
What is the InChIKey of [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium?
The InChIKey is MCOGYJKVEWZQRB-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H20N4O3S/c1-22(2)14(13-7-4-3-5-8-13)11-19-16(23)12-26-18-21-20-17(25-18)15-9-6-10-24-15/h3-10,14H,11-12H2,1-2H3,(H,19,23)/p+1/t14-/m0/s1.
What are the key properties of [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium?
[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium has a molecular weight of 373.46 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium is sourced from PubChem (CID 2085630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).