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

C16H14N4O2S — CID 949486

IUPACN-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)NCc1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-14(18-10-12-4-2-1-3-5-12)11-23-16-20-19-15(22-16)13-6-8-17-9-7-13/h1-9H,10-11H2,(H,18,21)
InChIKeyRBEOGWBVGSIPSA-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.54
Rot. Bonds6

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

N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 949486) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID949486
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)NCc1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-14(18-10-12-4-2-1-3-5-12)11-23-16-20-19-15(22-16)13-6-8-17-9-7-13/h1-9H,10-11H2,(H,18,21)
InChIKeyRBEOGWBVGSIPSA-UHFFFAOYSA-N
XLogP2.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 949486) is N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)o1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RBEOGWBVGSIPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14(18-10-12-4-2-1-3-5-12)11-23-16-20-19-15(22-16)13-6-8-17-9-7-13/h1-9H,10-11H2,(H,18,21).
What are the key properties of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 949486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).