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

C18H19N5O4S — CID 162506115

IUPAC2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1C(=O)NCc1nnc(-c2nccs2)o1
InChIInChI=1S/C18H19N5O4S/c1-25-14-10-12(23-5-7-26-8-6-23)2-3-13(14)16(24)20-11-15-21-22-17(27-15)18-19-4-9-28-18/h2-4,9-10H,5-8,11H2,1H3,(H,20,24)
InChIKeyJWEAFTSXCDYJSV-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.97
Rot. Bonds6

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

2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 162506115) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID162506115
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1C(=O)NCc1nnc(-c2nccs2)o1
InChIInChI=1S/C18H19N5O4S/c1-25-14-10-12(23-5-7-26-8-6-23)2-3-13(14)16(24)20-11-15-21-22-17(27-15)18-19-4-9-28-18/h2-4,9-10H,5-8,11H2,1H3,(H,20,24)
InChIKeyJWEAFTSXCDYJSV-UHFFFAOYSA-N
XLogP1.97
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 162506115) is 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1cc(N2CCOCC2)ccc1C(=O)NCc1nnc(-c2nccs2)o1.
What is the InChIKey of 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is JWEAFTSXCDYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-25-14-10-12(23-5-7-26-8-6-23)2-3-13(14)16(24)20-11-15-21-22-17(27-15)18-19-4-9-28-18/h2-4,9-10H,5-8,11H2,1H3,(H,20,24).
What are the key properties of 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 401.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 162506115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).