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

C20H15N3OS — CID 71843402

IUPAC3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(C=Cc4ccccc4)n3)cc2)cs1
InChIInChI=1S/C20H15N3OS/c1-14-21-18(13-25-14)16-8-10-17(11-9-16)20-22-19(24-23-20)12-7-15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyBUEKEGFMDJISQN-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.34
Rot. Bonds4

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

3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole (PubChem CID 71843402) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
PubChem CID71843402
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(C=Cc4ccccc4)n3)cc2)cs1
InChIInChI=1S/C20H15N3OS/c1-14-21-18(13-25-14)16-8-10-17(11-9-16)20-22-19(24-23-20)12-7-15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyBUEKEGFMDJISQN-UHFFFAOYSA-N
XLogP5.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole (CID 71843402) is 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3noc(C=Cc4ccccc4)n3)cc2)cs1.
What is the InChIKey of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The InChIKey is BUEKEGFMDJISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-14-21-18(13-25-14)16-8-10-17(11-9-16)20-22-19(24-23-20)12-7-15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole has a molecular weight of 345.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71843402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).