N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide

C16H13N3O2S — CID 1108413

IUPACN-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-14(11-22-13-9-5-2-6-10-13)17-16-15(18-21-19-16)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20)
InChIKeyLQTJHMQHGSFQBG-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds5

About N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide

N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 1108413) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID1108413
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-14(11-22-13-9-5-2-6-10-13)17-16-15(18-21-19-16)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20)
InChIKeyLQTJHMQHGSFQBG-UHFFFAOYSA-N
XLogP3.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 3910053
3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
CID 7678267
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-phenylsulfanylacetohydrazide
CID 7037418
2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 91938869
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 1018254
N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide
CID 112555487
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide (CID 1108413) is N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1nonc1-c1ccccc1.
What is the InChIKey of N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is LQTJHMQHGSFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-14(11-22-13-9-5-2-6-10-13)17-16-15(18-21-19-16)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19,20).
What are the key properties of N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 1108413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).