2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H14N2O2S — CID 890849

IUPAC2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCc2ccccc2)no1
InChIInChI=1S/C13H14N2O2S/c1-10-7-12(15-17-10)14-13(16)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,15,16)
InChIKeyVUZNKRFSMDYGKA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.85
Rot. Bonds5

About 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 890849) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID890849
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCc2ccccc2)no1
InChIInChI=1S/C13H14N2O2S/c1-10-7-12(15-17-10)14-13(16)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,15,16)
InChIKeyVUZNKRFSMDYGKA-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 890849) is 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCc2ccccc2)no1.
What is the InChIKey of 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VUZNKRFSMDYGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-7-12(15-17-10)14-13(16)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,15,16).
What are the key properties of 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 262.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 890849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).