3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole

C8H10N4O3S — CID 166241094

IUPAC3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole
SMILESCCc1nocc1CS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C8H10N4O3S/c1-2-7-6(3-15-12-7)4-16(13,14)8-9-5-10-11-8/h3,5H,2,4H2,1H3,(H,9,10,11)
InChIKeyHVZLZXNTJXHCLF-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.33
Rot. Bonds4

About 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole

3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole (PubChem CID 166241094) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole
PubChem CID166241094
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole
SMILESCCc1nocc1CS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C8H10N4O3S/c1-2-7-6(3-15-12-7)4-16(13,14)8-9-5-10-11-8/h3,5H,2,4H2,1H3,(H,9,10,11)
InChIKeyHVZLZXNTJXHCLF-UHFFFAOYSA-N
XLogP0.33
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole?
The IUPAC name of 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole (CID 166241094) is 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole?
The canonical SMILES for 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole is CCc1nocc1CS(=O)(=O)c1ncn[nH]1.
What is the InChIKey of 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole?
The InChIKey is HVZLZXNTJXHCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-2-7-6(3-15-12-7)4-16(13,14)8-9-5-10-11-8/h3,5H,2,4H2,1H3,(H,9,10,11).
What are the key properties of 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole?
3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole has a molecular weight of 242.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1H-1,2,4-triazol-5-ylsulfonylmethyl)-1,2-oxazole is sourced from PubChem (CID 166241094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).