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

C15H12N4O2S — CID 3153962

IUPACN-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1
InChIInChI=1S/C15H12N4O2S/c20-13(17-11-6-2-1-3-7-11)10-22-15-19-18-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2,(H,17,20)
InChIKeyPBMDXZLSHDHKHP-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.86
Rot. Bonds5

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

N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3153962) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3153962
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1
InChIInChI=1S/C15H12N4O2S/c20-13(17-11-6-2-1-3-7-11)10-22-15-19-18-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2,(H,17,20)
InChIKeyPBMDXZLSHDHKHP-UHFFFAOYSA-N
XLogP2.86
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3153962) is N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PBMDXZLSHDHKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-13(17-11-6-2-1-3-7-11)10-22-15-19-18-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2,(H,17,20).
What are the key properties of N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 312.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3153962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).