3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole

C13H11NOS — CID 161145249

IUPAC3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(c3cccs3)C2)cc1
InChIInChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12H,9H2
InChIKeyUNYOXYSVMFFCTR-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.61
Rot. Bonds2

About 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole

3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 161145249) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID161145249
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(c3cccs3)C2)cc1
InChIInChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12H,9H2
InChIKeyUNYOXYSVMFFCTR-UHFFFAOYSA-N
XLogP3.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 161145249) is 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NOC(c3cccs3)C2)cc1.
What is the InChIKey of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is UNYOXYSVMFFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12H,9H2.
What are the key properties of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 229.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 161145249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).