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

C17H17N3OS — CID 53010904

IUPAC5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1
InChIInChI=1S/C17H17N3OS/c1-2-15-18-14(10-22-15)11-6-8-12(9-7-11)16-19-17(21-20-16)13-4-3-5-13/h6-10,13H,2-5H2,1H3
InChIKeyVQAFZJKBXUAAFM-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.69
Rot. Bonds4

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

5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53010904) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53010904
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1
InChIInChI=1S/C17H17N3OS/c1-2-15-18-14(10-22-15)11-6-8-12(9-7-11)16-19-17(21-20-16)13-4-3-5-13/h6-10,13H,2-5H2,1H3
InChIKeyVQAFZJKBXUAAFM-UHFFFAOYSA-N
XLogP4.69
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
4-[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 46384857
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112505
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
CID 53141117
(4R)-4-[3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 95092119
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N-cyclopentyl-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
CID 53037643
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53010904) is 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is CCc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1.
What is the InChIKey of 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is VQAFZJKBXUAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-15-18-14(10-22-15)11-6-8-12(9-7-11)16-19-17(21-20-16)13-4-3-5-13/h6-10,13H,2-5H2,1H3.
What are the key properties of 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 311.41 g/mol, XLogP of 4.69, 4 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-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53010904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).