1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone

C11H16N4O2S — CID 59138054

IUPAC1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone
SMILESCC(=O)c1nn(C)nc1CSC1=NOC(C)(C)C1
InChIInChI=1S/C11H16N4O2S/c1-7(16)10-8(12-15(4)13-10)6-18-9-5-11(2,3)17-14-9/h5-6H2,1-4H3
InChIKeyACVPNGJAYBIZQC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.76
Rot. Bonds3

About 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone

1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone (PubChem CID 59138054) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone
PubChem CID59138054
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone
SMILESCC(=O)c1nn(C)nc1CSC1=NOC(C)(C)C1
InChIInChI=1S/C11H16N4O2S/c1-7(16)10-8(12-15(4)13-10)6-18-9-5-11(2,3)17-14-9/h5-6H2,1-4H3
InChIKeyACVPNGJAYBIZQC-UHFFFAOYSA-N
XLogP1.76
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone (CID 59138054) is 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone is CC(=O)c1nn(C)nc1CSC1=NOC(C)(C)C1.
What is the InChIKey of 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone?
The InChIKey is ACVPNGJAYBIZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7(16)10-8(12-15(4)13-10)6-18-9-5-11(2,3)17-14-9/h5-6H2,1-4H3.
What are the key properties of 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone?
1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone is sourced from PubChem (CID 59138054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).