5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole

C9H10FNOS — CID 154715312

IUPAC5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccsc1C1=NOC(CF)C1
InChIInChI=1S/C9H10FNOS/c1-6-2-3-13-9(6)8-4-7(5-10)12-11-8/h2-3,7H,4-5H2,1H3
InChIKeyXOZQOUNSTSVBSR-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.52
Rot. Bonds2

About 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole

5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 154715312) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID154715312
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccsc1C1=NOC(CF)C1
InChIInChI=1S/C9H10FNOS/c1-6-2-3-13-9(6)8-4-7(5-10)12-11-8/h2-3,7H,4-5H2,1H3
InChIKeyXOZQOUNSTSVBSR-UHFFFAOYSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole (CID 154715312) is 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole is Cc1ccsc1C1=NOC(CF)C1.
What is the InChIKey of 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XOZQOUNSTSVBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-6-2-3-13-9(6)8-4-7(5-10)12-11-8/h2-3,7H,4-5H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole?
5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 199.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-(3-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 154715312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).