3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole

C11H14N2O2S — CID 71851464

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCCc1cnc(CSCc2cc(C)on2)o1
InChIInChI=1S/C11H14N2O2S/c1-3-10-5-12-11(14-10)7-16-6-9-4-8(2)15-13-9/h4-5H,3,6-7H2,1-2H3
InChIKeyGFOQDTGYCLDCRO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.97
Rot. Bonds5

About 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole

3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 71851464) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID71851464
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCCc1cnc(CSCc2cc(C)on2)o1
InChIInChI=1S/C11H14N2O2S/c1-3-10-5-12-11(14-10)7-16-6-9-4-8(2)15-13-9/h4-5H,3,6-7H2,1-2H3
InChIKeyGFOQDTGYCLDCRO-UHFFFAOYSA-N
XLogP2.97
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole (CID 71851464) is 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole is CCc1cnc(CSCc2cc(C)on2)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is GFOQDTGYCLDCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-10-5-12-11(14-10)7-16-6-9-4-8(2)15-13-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole?
3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 238.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 71851464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).