3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole

C12H8N2OS — CID 695679

IUPAC3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10/h1-8H
InChIKeyIHNSIFFSNUQGQN-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.47
Rot. Bonds2

About 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole

3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 695679) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID695679
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10/h1-8H
InChIKeyIHNSIFFSNUQGQN-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sew2871
CID 4077460
N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50925386
3-(3-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 573345
5-(4-Fluorophenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718718
3-(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155514389
4-(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155533454
4-(5-Phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 155540596
4-(5-Thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155555751
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
CID 155555817
3-Piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 2823630
3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
3-(4-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 784811

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole (CID 695679) is 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3cccs3)n2)cc1.
What is the InChIKey of 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is IHNSIFFSNUQGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10/h1-8H.
What are the key properties of 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole?
3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 228.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 695679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).