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

C20H22N4O4S — CID 162506147

IUPAC2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(CN2CCOCC2)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C20H22N4O4S/c1-26-16-11-14(13-24-6-8-27-9-7-24)4-5-15(16)19(25)21-12-18-22-23-20(28-18)17-3-2-10-29-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,25)
InChIKeyDJSJTVMPTBXRBD-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.57
Rot. Bonds7

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

2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162506147) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID162506147
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(CN2CCOCC2)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C20H22N4O4S/c1-26-16-11-14(13-24-6-8-27-9-7-24)4-5-15(16)19(25)21-12-18-22-23-20(28-18)17-3-2-10-29-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,25)
InChIKeyDJSJTVMPTBXRBD-UHFFFAOYSA-N
XLogP2.57
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162506147) is 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(CN2CCOCC2)ccc1C(=O)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is DJSJTVMPTBXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-26-16-11-14(13-24-6-8-27-9-7-24)4-5-15(16)19(25)21-12-18-22-23-20(28-18)17-3-2-10-29-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,25).
What are the key properties of 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(morpholin-4-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162506147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).