5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole

C8H8N2O2S — CID 130702481

IUPAC5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1oncc1CSc1ncco1
InChIInChI=1S/C8H8N2O2S/c1-6-7(4-10-12-6)5-13-8-9-2-3-11-8/h2-4H,5H2,1H3
InChIKeyAGCFXQVXAGJQTA-UHFFFAOYSA-N
MW196.23 g/mol
LogP2.26
Rot. Bonds3

About 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole

5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 130702481) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole
PubChem CID130702481
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1oncc1CSc1ncco1
InChIInChI=1S/C8H8N2O2S/c1-6-7(4-10-12-6)5-13-8-9-2-3-11-8/h2-4H,5H2,1H3
InChIKeyAGCFXQVXAGJQTA-UHFFFAOYSA-N
XLogP2.26
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole (CID 130702481) is 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole is Cc1oncc1CSc1ncco1.
What is the InChIKey of 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is AGCFXQVXAGJQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-6-7(4-10-12-6)5-13-8-9-2-3-11-8/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole?
5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 196.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,3-oxazol-2-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 130702481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).