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

C18H19N3O5S — CID 162506121

IUPAC2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOCCOc1ccc(C(=O)NCc2nnc(-c3cccs3)o2)c(OC)c1
InChIInChI=1S/C18H19N3O5S/c1-23-7-8-25-12-5-6-13(14(10-12)24-2)17(22)19-11-16-20-21-18(26-16)15-4-3-9-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
InChIKeyLAWHHSHHLUKMCU-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.76
Rot. Bonds9

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

2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162506121) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID162506121
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOCCOc1ccc(C(=O)NCc2nnc(-c3cccs3)o2)c(OC)c1
InChIInChI=1S/C18H19N3O5S/c1-23-7-8-25-12-5-6-13(14(10-12)24-2)17(22)19-11-16-20-21-18(26-16)15-4-3-9-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
InChIKeyLAWHHSHHLUKMCU-UHFFFAOYSA-N
XLogP2.76
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162506121) is 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COCCOc1ccc(C(=O)NCc2nnc(-c3cccs3)o2)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is LAWHHSHHLUKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-23-7-8-25-12-5-6-13(14(10-12)24-2)17(22)19-11-16-20-21-18(26-16)15-4-3-9-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22).
What are the key properties of 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 389.43 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methoxyethoxy)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162506121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).