5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

C20H16N2O2S — CID 2745588

IUPAC5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(COc2ccccc2)n1
InChIInChI=1S/C20H16N2O2S/c1-14-19(20(22-24-14)15-8-4-2-5-9-15)17-13-25-18(21-17)12-23-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3
InChIKeyURPCVHPVYNOROH-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.35
Rot. Bonds5

About 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (PubChem CID 2745588) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
PubChem CID2745588
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(COc2ccccc2)n1
InChIInChI=1S/C20H16N2O2S/c1-14-19(20(22-24-14)15-8-4-2-5-9-15)17-13-25-18(21-17)12-23-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3
InChIKeyURPCVHPVYNOROH-UHFFFAOYSA-N
XLogP5.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (CID 2745588) is 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(COc2ccccc2)n1.
What is the InChIKey of 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The InChIKey is URPCVHPVYNOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14-19(20(22-24-14)15-8-4-2-5-9-15)17-13-25-18(21-17)12-23-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3.
What are the key properties of 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole has a molecular weight of 348.43 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2745588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).