2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C17H20N6O3S — CID 2999645

IUPAC2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C
InChIInChI=1S/C17H20N6O3S/c1-4-12(23(2)3)15-20-22-17(26-15)27-10-13(24)18-16-21-19-14(25-16)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,18,21,24)
InChIKeyHHKODPGQVZDKJM-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.86
Rot. Bonds8

About 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 2999645) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID2999645
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C
InChIInChI=1S/C17H20N6O3S/c1-4-12(23(2)3)15-20-22-17(26-15)27-10-13(24)18-16-21-19-14(25-16)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,18,21,24)
InChIKeyHHKODPGQVZDKJM-UHFFFAOYSA-N
XLogP2.86
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 2999645) is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is CCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C.
What is the InChIKey of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is HHKODPGQVZDKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-4-12(23(2)3)15-20-22-17(26-15)27-10-13(24)18-16-21-19-14(25-16)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,18,21,24).
What are the key properties of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 2999645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).