3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole

C19H15N3OS — CID 50838838

IUPAC3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)c1
InChIInChI=1S/C19H15N3OS/c1-13-6-5-9-15(10-13)19-21-17(23-22-19)11-18-20-16(12-24-18)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyRUOSVUIZOSKYMW-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.76
Rot. Bonds4

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

3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 50838838) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID50838838
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)c1
InChIInChI=1S/C19H15N3OS/c1-13-6-5-9-15(10-13)19-21-17(23-22-19)11-18-20-16(12-24-18)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyRUOSVUIZOSKYMW-UHFFFAOYSA-N
XLogP4.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole (CID 50838838) is 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole is Cc1cccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RUOSVUIZOSKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-6-5-9-15(10-13)19-21-17(23-22-19)11-18-20-16(12-24-18)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3.
What are the key properties of 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 333.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50838838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).