3-(propan-2-ylsulfanylmethyl)-1,2-oxazole

C7H11NOS — CID 130651978

IUPAC3-(propan-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCC(C)SCc1ccon1
InChIInChI=1S/C7H11NOS/c1-6(2)10-5-7-3-4-9-8-7/h3-4,6H,5H2,1-2H3
InChIKeyCTSARQZGDDKOHP-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.32
Rot. Bonds3

About 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole

3-(propan-2-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 130651978) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(propan-2-ylsulfanylmethyl)-1,2-oxazole
PubChem CID130651978
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-(propan-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCC(C)SCc1ccon1
InChIInChI=1S/C7H11NOS/c1-6(2)10-5-7-3-4-9-8-7/h3-4,6H,5H2,1-2H3
InChIKeyCTSARQZGDDKOHP-UHFFFAOYSA-N
XLogP2.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole (CID 130651978) is 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole is CC(C)SCc1ccon1.
What is the InChIKey of 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is CTSARQZGDDKOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-6(2)10-5-7-3-4-9-8-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole?
3-(propan-2-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 157.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 130651978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).