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

C16H16N4O3S — CID 92587621

IUPAC2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C16H16N4O3S/c1-3-22-12-7-5-4-6-11(12)15(21)17-8-13-19-20-16(23-13)14-10(2)18-9-24-14/h4-7,9H,3,8H2,1-2H3,(H,17,21)
InChIKeyXPKQYKMSHJQYEK-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.83
Rot. Bonds6

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

2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 92587621) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID92587621
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C16H16N4O3S/c1-3-22-12-7-5-4-6-11(12)15(21)17-8-13-19-20-16(23-13)14-10(2)18-9-24-14/h4-7,9H,3,8H2,1-2H3,(H,17,21)
InChIKeyXPKQYKMSHJQYEK-UHFFFAOYSA-N
XLogP2.83
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 92587621) is 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is CCOc1ccccc1C(=O)NCc1nnc(-c2scnc2C)o1.
What is the InChIKey of 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is XPKQYKMSHJQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-22-12-7-5-4-6-11(12)15(21)17-8-13-19-20-16(23-13)14-10(2)18-9-24-14/h4-7,9H,3,8H2,1-2H3,(H,17,21).
What are the key properties of 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 344.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 92587621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).