3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole

C13H10N2O2S — CID 146155855

IUPAC3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3nccs3)on2)cc1
InChIInChI=1S/C13H10N2O2S/c1-16-10-4-2-9(3-5-10)11-8-12(17-15-11)13-14-6-7-18-13/h2-8H,1H3
InChIKeyLNGMFTSXQZMOQS-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.47
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole

3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 146155855) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID146155855
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3nccs3)on2)cc1
InChIInChI=1S/C13H10N2O2S/c1-16-10-4-2-9(3-5-10)11-8-12(17-15-11)13-14-6-7-18-13/h2-8H,1H3
InChIKeyLNGMFTSXQZMOQS-UHFFFAOYSA-N
XLogP3.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole (CID 146155855) is 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole is COc1ccc(-c2cc(-c3nccs3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is LNGMFTSXQZMOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-16-10-4-2-9(3-5-10)11-8-12(17-15-11)13-14-6-7-18-13/h2-8H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 258.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 146155855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).