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

C15H11BrN4O2S — CID 162787800

IUPACN-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1Sc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H11BrN4O2S/c1-9(21)18-13-12(3-2-8-17-13)23-15-20-19-14(22-15)10-4-6-11(16)7-5-10/h2-8H,1H3,(H,17,18,21)
InChIKeyZOZMFUFXUWGUJW-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.00
Rot. Bonds4

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

N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide (PubChem CID 162787800) has the molecular formula C15H11BrN4O2S and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide
PubChem CID162787800
Molecular FormulaC15H11BrN4O2S
Molecular Weight391.25 g/mol
Exact Mass389.98
IUPAC NameN-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1Sc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H11BrN4O2S/c1-9(21)18-13-12(3-2-8-17-13)23-15-20-19-14(22-15)10-4-6-11(16)7-5-10/h2-8H,1H3,(H,17,18,21)
InChIKeyZOZMFUFXUWGUJW-UHFFFAOYSA-N
XLogP4.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide (CID 162787800) is N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide is CC(=O)Nc1ncccc1Sc1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide?
The InChIKey is ZOZMFUFXUWGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2S/c1-9(21)18-13-12(3-2-8-17-13)23-15-20-19-14(22-15)10-4-6-11(16)7-5-10/h2-8H,1H3,(H,17,18,21).
What are the key properties of N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide?
N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide has a molecular weight of 391.25 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162787800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).