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

C13H9NOS — CID 4303653

IUPAC5-phenyl-2-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(-c2cnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H9NOS/c1-2-5-10(6-3-1)11-9-14-13(15-11)12-7-4-8-16-12/h1-9H
InChIKeyJPFXPNRGOVHZDH-UHFFFAOYSA-N
MW227.29 g/mol
LogP4.07
Rot. Bonds2

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

5-phenyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 4303653) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-phenyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID4303653
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name5-phenyl-2-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(-c2cnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H9NOS/c1-2-5-10(6-3-1)11-9-14-13(15-11)12-7-4-8-16-12/h1-9H
InChIKeyJPFXPNRGOVHZDH-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
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5-(5-methylthiophen-2-yl)-2-phenyl-1,3-oxazole
CID 14424350
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
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5-phenyl-2-(2-pyridin-2-ylphenyl)-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-phenyl-2-thiophen-2-yl-1,3-oxazole (CID 4303653) is 5-phenyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-thiophen-2-yl-1,3-oxazole is c1ccc(-c2cnc(-c3cccs3)o2)cc1.
What is the InChIKey of 5-phenyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is JPFXPNRGOVHZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c1-2-5-10(6-3-1)11-9-14-13(15-11)12-7-4-8-16-12/h1-9H.
What are the key properties of 5-phenyl-2-thiophen-2-yl-1,3-oxazole?
5-phenyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 227.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 4303653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).