N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide

C15H11N3O2S — CID 11277899

IUPACN-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)c1ccccc1
InChIInChI=1S/C15H11N3O2S/c19-13(10-4-2-1-3-5-10)16-12-8-6-11(7-9-12)14-17-18-15(21)20-14/h1-9H,(H,16,19)(H,18,21)
InChIKeyQMWMHQFPJLRLMQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.65
Rot. Bonds3

About N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide

N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 11277899) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID11277899
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)c1ccccc1
InChIInChI=1S/C15H11N3O2S/c19-13(10-4-2-1-3-5-10)16-12-8-6-11(7-9-12)14-17-18-15(21)20-14/h1-9H,(H,16,19)(H,18,21)
InChIKeyQMWMHQFPJLRLMQ-UHFFFAOYSA-N
XLogP3.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide (CID 11277899) is N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is QMWMHQFPJLRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-13(10-4-2-1-3-5-10)16-12-8-6-11(7-9-12)14-17-18-15(21)20-14/h1-9H,(H,16,19)(H,18,21).
What are the key properties of N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide?
N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 297.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 11277899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).