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

C18H13N3OS — CID 53037300

IUPAC3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cs1
InChIInChI=1S/C18H13N3OS/c1-12-19-16(11-23-12)14-8-5-9-15(10-14)17-20-18(22-21-17)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyBUQWRERUMPWWEL-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.84
Rot. Bonds3

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

3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 53037300) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID53037300
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cs1
InChIInChI=1S/C18H13N3OS/c1-12-19-16(11-23-12)14-8-5-9-15(10-14)17-20-18(22-21-17)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyBUQWRERUMPWWEL-UHFFFAOYSA-N
XLogP4.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole (CID 53037300) is 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole is Cc1nc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cs1.
What is the InChIKey of 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is BUQWRERUMPWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-19-16(11-23-12)14-8-5-9-15(10-14)17-20-18(22-21-17)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 319.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 53037300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).