2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole

C11H11NOS — CID 3293657

IUPAC2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole
SMILESc1ccc(C2=NC3CSCC3O2)cc1
InChIInChI=1S/C11H11NOS/c1-2-4-8(5-3-1)11-12-9-6-14-7-10(9)13-11/h1-5,9-10H,6-7H2
InChIKeyCGYFXQUFPOYHHK-UHFFFAOYSA-N
MW205.28 g/mol
LogP1.95
Rot. Bonds1

About 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole

2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole (PubChem CID 3293657) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole.

Molecular Properties

Compound Name2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole
PubChem CID3293657
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole
SMILESc1ccc(C2=NC3CSCC3O2)cc1
InChIInChI=1S/C11H11NOS/c1-2-4-8(5-3-1)11-12-9-6-14-7-10(9)13-11/h1-5,9-10H,6-7H2
InChIKeyCGYFXQUFPOYHHK-UHFFFAOYSA-N
XLogP1.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole?
The IUPAC name of 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole (CID 3293657) is 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole.
What is the SMILES notation for 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole?
The canonical SMILES for 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole is c1ccc(C2=NC3CSCC3O2)cc1.
What is the InChIKey of 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole?
The InChIKey is CGYFXQUFPOYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-4-8(5-3-1)11-12-9-6-14-7-10(9)13-11/h1-5,9-10H,6-7H2.
What are the key properties of 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole?
2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole has a molecular weight of 205.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole is sourced from PubChem (CID 3293657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).