N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C17H15N3O3S — CID 779642

IUPACN-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)18-15(21)11-24-17-20-19-16(23-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyQGAXLWSZSZXHNC-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.48
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 779642) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID779642
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)18-15(21)11-24-17-20-19-16(23-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyQGAXLWSZSZXHNC-UHFFFAOYSA-N
XLogP3.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 779642) is N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QGAXLWSZSZXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)18-15(21)11-24-17-20-19-16(23-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 779642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).