4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole

C13H15NOS — CID 122377291

IUPAC4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(SCc2ccccc2)co1
InChIInChI=1S/C13H15NOS/c1-10(2)13-14-12(8-15-13)16-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyFOEQKZSKFCYXNV-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.09
Rot. Bonds4

About 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole

4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole (PubChem CID 122377291) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole
PubChem CID122377291
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(SCc2ccccc2)co1
InChIInChI=1S/C13H15NOS/c1-10(2)13-14-12(8-15-13)16-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyFOEQKZSKFCYXNV-UHFFFAOYSA-N
XLogP4.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
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2,4,6-tris(4-benzylsulfanylbutan-2-yloxy)-1,3,5-triazine
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4-benzylsulfanyl-1-methylimidazole
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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole (CID 122377291) is 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(SCc2ccccc2)co1.
What is the InChIKey of 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is FOEQKZSKFCYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10(2)13-14-12(8-15-13)16-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole?
4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 233.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 122377291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).