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

C17H20N4O5S — CID 4140777

IUPAC4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCOCC3)o2)cc1
InChIInChI=1S/C17H20N4O5S/c1-24-13-4-2-12(3-5-13)16(23)18-10-14-19-20-17(26-14)27-11-15(22)21-6-8-25-9-7-21/h2-5H,6-11H2,1H3,(H,18,23)
InChIKeyOACXPMWOADANSO-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.96
Rot. Bonds7

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

4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 4140777) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID4140777
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCOCC3)o2)cc1
InChIInChI=1S/C17H20N4O5S/c1-24-13-4-2-12(3-5-13)16(23)18-10-14-19-20-17(26-14)27-11-15(22)21-6-8-25-9-7-21/h2-5H,6-11H2,1H3,(H,18,23)
InChIKeyOACXPMWOADANSO-UHFFFAOYSA-N
XLogP0.96
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 4140777) is 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCOCC3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is OACXPMWOADANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-24-13-4-2-12(3-5-13)16(23)18-10-14-19-20-17(26-14)27-11-15(22)21-6-8-25-9-7-21/h2-5H,6-11H2,1H3,(H,18,23).
What are the key properties of 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4140777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).