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

C13H11NOS — CID 3242466

IUPAC4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COC(c3cccs3)=N2)cc1
InChIInChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2
InChIKeyBZXDHTYWKPOWQO-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.27
Rot. Bonds2

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

4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 3242466) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID3242466
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COC(c3cccs3)=N2)cc1
InChIInChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2
InChIKeyBZXDHTYWKPOWQO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole (CID 3242466) is 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole is c1ccc(C2COC(c3cccs3)=N2)cc1.
What is the InChIKey of 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BZXDHTYWKPOWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2.
What are the key properties of 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole?
4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 229.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).