4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole

C10H15NOS — CID 139505613

IUPAC4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESCS/C=C(\C)c1coc(C(C)C)n1
InChIInChI=1S/C10H15NOS/c1-7(2)10-11-9(5-12-10)8(3)6-13-4/h5-7H,1-4H3/b8-6+
InChIKeyQIVGTIOOPCPKQA-SOFGYWHQSA-N
MW197.30 g/mol
LogP3.52
Rot. Bonds3

About 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole

4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole (PubChem CID 139505613) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole
PubChem CID139505613
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESCS/C=C(\C)c1coc(C(C)C)n1
InChIInChI=1S/C10H15NOS/c1-7(2)10-11-9(5-12-10)8(3)6-13-4/h5-7H,1-4H3/b8-6+
InChIKeyQIVGTIOOPCPKQA-SOFGYWHQSA-N
XLogP3.52
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole (CID 139505613) is 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole is CS/C=C(\C)c1coc(C(C)C)n1.
What is the InChIKey of 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is QIVGTIOOPCPKQA-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)10-11-9(5-12-10)8(3)6-13-4/h5-7H,1-4H3/b8-6+.
What are the key properties of 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole?
4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 197.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 139505613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).