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

C20H22N4O4S — CID 162506096

IUPAC2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1C(=O)NC(C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H22N4O4S/c1-13(19-22-23-20(28-19)17-4-3-11-29-17)21-18(25)15-6-5-14(12-16(15)26-2)24-7-9-27-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyHEIBMEMSJOREOX-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.13
Rot. Bonds6

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

2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 162506096) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID162506096
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1C(=O)NC(C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H22N4O4S/c1-13(19-22-23-20(28-19)17-4-3-11-29-17)21-18(25)15-6-5-14(12-16(15)26-2)24-7-9-27-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyHEIBMEMSJOREOX-UHFFFAOYSA-N
XLogP3.13
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.13
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-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 162506096) is 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is COc1cc(N2CCOCC2)ccc1C(=O)NC(C)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is HEIBMEMSJOREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13(19-22-23-20(28-19)17-4-3-11-29-17)21-18(25)15-6-5-14(12-16(15)26-2)24-7-9-27-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
2-methoxy-4-morpholin-4-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 3.13, 6 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-yl-N-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 162506096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).