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

C19H15N3OS — CID 50838797

IUPAC5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)16-12-24-18(20-16)11-17-21-19(22-23-17)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyMVAOCFHMDPZLMC-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.76
Rot. Bonds4

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

5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50838797) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50838797
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)16-12-24-18(20-16)11-17-21-19(22-23-17)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyMVAOCFHMDPZLMC-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 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 50838797) is 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1.
What is the InChIKey of 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MVAOCFHMDPZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-7-9-14(10-8-13)16-12-24-18(20-16)11-17-21-19(22-23-17)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-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 5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50838797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).