5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole

C13H10N2O2S — CID 167983700

IUPAC5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole
SMILESc1ccc(-c2cc(OCc3cncs3)no2)cc1
InChIInChI=1S/C13H10N2O2S/c1-2-4-10(5-3-1)12-6-13(15-17-12)16-8-11-7-14-9-18-11/h1-7,9H,8H2
InChIKeyRYIZOTDAUVAOPH-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.38
Rot. Bonds4

About 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole

5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole (PubChem CID 167983700) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole
PubChem CID167983700
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole
SMILESc1ccc(-c2cc(OCc3cncs3)no2)cc1
InChIInChI=1S/C13H10N2O2S/c1-2-4-10(5-3-1)12-6-13(15-17-12)16-8-11-7-14-9-18-11/h1-7,9H,8H2
InChIKeyRYIZOTDAUVAOPH-UHFFFAOYSA-N
XLogP3.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole?
The IUPAC name of 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole (CID 167983700) is 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole is c1ccc(-c2cc(OCc3cncs3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole?
The InChIKey is RYIZOTDAUVAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-2-4-10(5-3-1)12-6-13(15-17-12)16-8-11-7-14-9-18-11/h1-7,9H,8H2.
What are the key properties of 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole?
5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole has a molecular weight of 258.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole is sourced from PubChem (CID 167983700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).