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

C16H15N3OS — CID 53010901

IUPAC5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1
InChIInChI=1S/C16H15N3OS/c1-10-17-14(9-21-10)11-5-7-12(8-6-11)15-18-16(20-19-15)13-3-2-4-13/h5-9,13H,2-4H2,1H3
InChIKeyTXZMUQVHLPFONA-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.44
Rot. Bonds3

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

5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53010901) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53010901
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1
InChIInChI=1S/C16H15N3OS/c1-10-17-14(9-21-10)11-5-7-12(8-6-11)15-18-16(20-19-15)13-3-2-4-13/h5-9,13H,2-4H2,1H3
InChIKeyTXZMUQVHLPFONA-UHFFFAOYSA-N
XLogP4.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53010901) is 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1.
What is the InChIKey of 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is TXZMUQVHLPFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-17-14(9-21-10)11-5-7-12(8-6-11)15-18-16(20-19-15)13-3-2-4-13/h5-9,13H,2-4H2,1H3.
What are the key properties of 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 297.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53010901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).