5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole

C7H7ClF3NOS — CID 148651817

IUPAC5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole
SMILESFC(F)C(F)CCSc1ncc(Cl)o1
InChIInChI=1S/C7H7ClF3NOS/c8-5-3-12-7(13-5)14-2-1-4(9)6(10)11/h3-4,6H,1-2H2
InChIKeyNMBDVXPHVIGZTE-UHFFFAOYSA-N
MW245.65 g/mol
LogP3.41
Rot. Bonds5

About 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole

5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole (PubChem CID 148651817) has the molecular formula C7H7ClF3NOS and a molecular weight of 245.65 g/mol. Its IUPAC name is 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole
PubChem CID148651817
Molecular FormulaC7H7ClF3NOS
Molecular Weight245.65 g/mol
Exact Mass244.99
IUPAC Name5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole
SMILESFC(F)C(F)CCSc1ncc(Cl)o1
InChIInChI=1S/C7H7ClF3NOS/c8-5-3-12-7(13-5)14-2-1-4(9)6(10)11/h3-4,6H,1-2H2
InChIKeyNMBDVXPHVIGZTE-UHFFFAOYSA-N
XLogP3.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.65
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole (CID 148651817) is 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole is FC(F)C(F)CCSc1ncc(Cl)o1.
What is the InChIKey of 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
The InChIKey is NMBDVXPHVIGZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NOS/c8-5-3-12-7(13-5)14-2-1-4(9)6(10)11/h3-4,6H,1-2H2.
What are the key properties of 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole?
5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole has a molecular weight of 245.65 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4,4-trifluorobutylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 148651817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).