[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C19H22FN4O2S+ — CID 8690109

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)NCc1ccccc1F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H21FN4O2S/c1-2-9-24(12-17(25)21-11-14-6-3-4-7-15(14)20)13-18-22-23-19(26-18)16-8-5-10-27-16/h3-8,10H,2,9,11-13H2,1H3,(H,21,25)/p+1
InChIKeyWDJOJUVNDZZUTD-UHFFFAOYSA-O
MW389.48 g/mol
LogP2.05
Rot. Bonds9

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8690109) has the molecular formula C19H22FN4O2S+ and a molecular weight of 389.48 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID8690109
Molecular FormulaC19H22FN4O2S+
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)NCc1ccccc1F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H21FN4O2S/c1-2-9-24(12-17(25)21-11-14-6-3-4-7-15(14)20)13-18-22-23-19(26-18)16-8-5-10-27-16/h3-8,10H,2,9,11-13H2,1H3,(H,21,25)/p+1
InChIKeyWDJOJUVNDZZUTD-UHFFFAOYSA-O
XLogP2.05
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8690109) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)NCc1ccccc1F)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is WDJOJUVNDZZUTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN4O2S/c1-2-9-24(12-17(25)21-11-14-6-3-4-7-15(14)20)13-18-22-23-19(26-18)16-8-5-10-27-16/h3-8,10H,2,9,11-13H2,1H3,(H,21,25)/p+1.
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 389.48 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8690109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).