2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide

C11H14N4O2S — CID 60968351

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H14N4O2S/c1-7-9(8(2)17-15-7)5-18-6-10(16)14-11-12-3-4-13-11/h3-4H,5-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyYPHRDNKBDWFNLP-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.89
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide (PubChem CID 60968351) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide
PubChem CID60968351
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H14N4O2S/c1-7-9(8(2)17-15-7)5-18-6-10(16)14-11-12-3-4-13-11/h3-4H,5-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyYPHRDNKBDWFNLP-UHFFFAOYSA-N
XLogP1.89
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide (CID 60968351) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide is Cc1noc(C)c1CSCC(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is YPHRDNKBDWFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-9(8(2)17-15-7)5-18-6-10(16)14-11-12-3-4-13-11/h3-4H,5-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 266.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 60968351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).