5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

C11H12FNOS — CID 177401482

IUPAC5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESCC1C(F)CC2N=C(c3cccs3)OC21
InChIInChI=1S/C11H12FNOS/c1-6-7(12)5-8-10(6)14-11(13-8)9-3-2-4-15-9/h2-4,6-8,10H,5H2,1H3
InChIKeyPAJJHFWKQDIKFN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.64
Rot. Bonds1

About 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (PubChem CID 177401482) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
PubChem CID177401482
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESCC1C(F)CC2N=C(c3cccs3)OC21
InChIInChI=1S/C11H12FNOS/c1-6-7(12)5-8-10(6)14-11(13-8)9-3-2-4-15-9/h2-4,6-8,10H,5H2,1H3
InChIKeyPAJJHFWKQDIKFN-UHFFFAOYSA-N
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The IUPAC name of 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (CID 177401482) is 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.
What is the SMILES notation for 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The canonical SMILES for 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is CC1C(F)CC2N=C(c3cccs3)OC21.
What is the InChIKey of 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The InChIKey is PAJJHFWKQDIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-6-7(12)5-8-10(6)14-11(13-8)9-3-2-4-15-9/h2-4,6-8,10H,5H2,1H3.
What are the key properties of 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole has a molecular weight of 225.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is sourced from PubChem (CID 177401482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).