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

C17H16N4O3S — CID 4519704

IUPACN-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C17H16N4O3S/c1-2-23-14-8-4-3-7-13(14)19-15(22)11-25-17-21-20-16(24-17)12-6-5-9-18-10-12/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyXBWARJGUAVHTJS-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.26
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4519704) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4519704
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C17H16N4O3S/c1-2-23-14-8-4-3-7-13(14)19-15(22)11-25-17-21-20-16(24-17)12-6-5-9-18-10-12/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyXBWARJGUAVHTJS-UHFFFAOYSA-N
XLogP3.26
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4519704) is N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)o1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XBWARJGUAVHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-2-23-14-8-4-3-7-13(14)19-15(22)11-25-17-21-20-16(24-17)12-6-5-9-18-10-12/h3-10H,2,11H2,1H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 356.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4519704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).