2-(3-fluoropropylsulfanyl)-1,3-oxazole

C6H8FNOS — CID 130660686

IUPAC2-(3-fluoropropylsulfanyl)-1,3-oxazole
SMILESFCCCSc1ncco1
InChIInChI=1S/C6H8FNOS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5H2
InChIKeyUVRWFCQMBPTGHG-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-fluoropropylsulfanyl)-1,3-oxazole

2-(3-fluoropropylsulfanyl)-1,3-oxazole (PubChem CID 130660686) has the molecular formula C6H8FNOS and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)-1,3-oxazole
PubChem CID130660686
Molecular FormulaC6H8FNOS
Molecular Weight161.20 g/mol
Exact Mass161.03
IUPAC Name2-(3-fluoropropylsulfanyl)-1,3-oxazole
SMILESFCCCSc1ncco1
InChIInChI=1S/C6H8FNOS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5H2
InChIKeyUVRWFCQMBPTGHG-UHFFFAOYSA-N
XLogP2.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(3-fluoropropylsulfanyl)-1,3-oxazole (CID 130660686) is 2-(3-fluoropropylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)-1,3-oxazole is FCCCSc1ncco1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)-1,3-oxazole?
The InChIKey is UVRWFCQMBPTGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNOS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5H2.
What are the key properties of 2-(3-fluoropropylsulfanyl)-1,3-oxazole?
2-(3-fluoropropylsulfanyl)-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 130660686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).