5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole

C15H14N2OS — CID 2742670

IUPAC5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N2OS/c1-2-4-11-6-8-12(9-7-11)15-16-14(17-18-15)13-5-3-10-19-13/h3,5-10H,2,4H2,1H3
InChIKeyPAULOTKFNSGTIW-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.42
Rot. Bonds4

About 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2742670) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2742670
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N2OS/c1-2-4-11-6-8-12(9-7-11)15-16-14(17-18-15)13-5-3-10-19-13/h3,5-10H,2,4H2,1H3
InChIKeyPAULOTKFNSGTIW-UHFFFAOYSA-N
XLogP4.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Tioxazafen
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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
5-(4-Fluorophenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718718
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
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
5-(3-Methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718728
3-(4-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 784811

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 2742670) is 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is CCCc1ccc(-c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is PAULOTKFNSGTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-4-11-6-8-12(9-7-11)15-16-14(17-18-15)13-5-3-10-19-13/h3,5-10H,2,4H2,1H3.
What are the key properties of 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 270.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2742670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).