2-(1,3-oxazol-2-ylsulfanyl)benzamide

C10H8N2O2S — CID 18399902

IUPAC2-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccccc1Sc1ncco1
InChIInChI=1S/C10H8N2O2S/c11-9(13)7-3-1-2-4-8(7)15-10-12-5-6-14-10/h1-6H,(H2,11,13)
InChIKeyOSMIFPVLCKUZRD-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.92
Rot. Bonds3

About 2-(1,3-oxazol-2-ylsulfanyl)benzamide

2-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 18399902) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID18399902
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccccc1Sc1ncco1
InChIInChI=1S/C10H8N2O2S/c11-9(13)7-3-1-2-4-8(7)15-10-12-5-6-14-10/h1-6H,(H2,11,13)
InChIKeyOSMIFPVLCKUZRD-UHFFFAOYSA-N
XLogP1.92
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(Trifluoromethyl)-1,3-oxazol-2-yl]sulfanyl]benzamide
CID 69846703
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922593
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922786
2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922793
1-[3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106922996
1-[5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923001
1-[2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923007
1-[5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106923010
(1S)-1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923107
(1R)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923108
1-[2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923116
(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923117

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 18399902) is 2-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)benzamide is NC(=O)c1ccccc1Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is OSMIFPVLCKUZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-9(13)7-3-1-2-4-8(7)15-10-12-5-6-14-10/h1-6H,(H2,11,13).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)benzamide?
2-(1,3-oxazol-2-ylsulfanyl)benzamide has a molecular weight of 220.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 18399902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).