2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide

C16H13N3O2S — CID 91938869

IUPAC2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1cc(-c2cccnc2)no1
InChIInChI=1S/C16H13N3O2S/c20-15(11-22-13-6-2-1-3-7-13)18-16-9-14(19-21-16)12-5-4-8-17-10-12/h1-10H,11H2,(H,18,20)
InChIKeyQFSOENKOSYGYTL-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds5

About 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide

2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 91938869) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
PubChem CID91938869
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1cc(-c2cccnc2)no1
InChIInChI=1S/C16H13N3O2S/c20-15(11-22-13-6-2-1-3-7-13)18-16-9-14(19-21-16)12-5-4-8-17-10-12/h1-10H,11H2,(H,18,20)
InChIKeyQFSOENKOSYGYTL-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 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide 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

2-(2-fluorophenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143060
2-(4-methoxyphenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143050
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7594665
3,4-difluoro-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143042
3,5-dimethoxy-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143045
2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333673
N-(3-ethyloxadiazol-3-ium-5-yl)-2-phenylsulfanylacetamide
CID 53293964
N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
CID 113238219
N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 1108413
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 7518835
N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688154

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide (CID 91938869) is 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide is O=C(CSc1ccccc1)Nc1cc(-c2cccnc2)no1.
What is the InChIKey of 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is QFSOENKOSYGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(11-22-13-6-2-1-3-7-13)18-16-9-14(19-21-16)12-5-4-8-17-10-12/h1-10H,11H2,(H,18,20).
What are the key properties of 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide?
2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide 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 2-phenylsulfanyl-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 91938869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).