2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide

C12H20N2O2S — CID 42896222

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1nc(SCC(=O)NC(C)C(C)C)oc1C
InChIInChI=1S/C12H20N2O2S/c1-7(2)8(3)13-11(15)6-17-12-14-9(4)10(5)16-12/h7-8H,6H2,1-5H3,(H,13,15)
InChIKeyYSYMSFZFVWGHJE-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.54
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 42896222) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID42896222
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1nc(SCC(=O)NC(C)C(C)C)oc1C
InChIInChI=1S/C12H20N2O2S/c1-7(2)8(3)13-11(15)6-17-12-14-9(4)10(5)16-12/h7-8H,6H2,1-5H3,(H,13,15)
InChIKeyYSYMSFZFVWGHJE-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide (CID 42896222) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide is Cc1nc(SCC(=O)NC(C)C(C)C)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YSYMSFZFVWGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7(2)8(3)13-11(15)6-17-12-14-9(4)10(5)16-12/h7-8H,6H2,1-5H3,(H,13,15).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 42896222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).