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

C13H11N3OS — CID 67038628

IUPAC5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2scnc2-c2ccccc2)no1
InChIInChI=1S/C13H11N3OS/c1-2-10-15-13(16-17-10)12-11(14-8-18-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVLJCCDZUWHLWKY-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.42
Rot. Bonds3

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

5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 67038628) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID67038628
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2scnc2-c2ccccc2)no1
InChIInChI=1S/C13H11N3OS/c1-2-10-15-13(16-17-10)12-11(14-8-18-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVLJCCDZUWHLWKY-UHFFFAOYSA-N
XLogP3.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 75380493
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
5-(butylsulfonylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 78876864
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
7-ethyl-3-phenyl-1,2-benzoxazole
CID 12562676
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
5-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 50838837
2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 70721651

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 67038628) is 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is CCc1nc(-c2scnc2-c2ccccc2)no1.
What is the InChIKey of 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is VLJCCDZUWHLWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-10-15-13(16-17-10)12-11(14-8-18-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 257.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 67038628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).