N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C16H20N4O3S — CID 7502168

IUPACN-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCCN2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C16H20N4O3S/c21-15(13-4-2-1-3-5-13)17-12-14-18-19-16(23-14)24-11-8-20-6-9-22-10-7-20/h1-5H,6-12H2,(H,17,21)
InChIKeyMVXBFTBWEQFQGX-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.42
Rot. Bonds7

About N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 7502168) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID7502168
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCCN2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C16H20N4O3S/c21-15(13-4-2-1-3-5-13)17-12-14-18-19-16(23-14)24-11-8-20-6-9-22-10-7-20/h1-5H,6-12H2,(H,17,21)
InChIKeyMVXBFTBWEQFQGX-UHFFFAOYSA-N
XLogP1.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 7502168) is N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(SCCN2CCOCC2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is MVXBFTBWEQFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-15(13-4-2-1-3-5-13)17-12-14-18-19-16(23-14)24-11-8-20-6-9-22-10-7-20/h1-5H,6-12H2,(H,17,21).
What are the key properties of N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 348.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 7502168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).