5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C14H9F3N2OS — CID 2808329

IUPAC5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1csc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1
InChIInChI=1S/C14H9F3N2OS/c1-8-6-11(21-7-8)13-18-12(19-20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3
InChIKeyKTKADWRBFDHZEC-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.79
Rot. Bonds2

About 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2808329) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID2808329
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1csc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1
InChIInChI=1S/C14H9F3N2OS/c1-8-6-11(21-7-8)13-18-12(19-20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3
InChIKeyKTKADWRBFDHZEC-UHFFFAOYSA-N
XLogP4.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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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
3-(3-Nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
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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
N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
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CID 784811

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 2808329) is 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1csc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1.
What is the InChIKey of 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is KTKADWRBFDHZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c1-8-6-11(21-7-8)13-18-12(19-20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3.
What are the key properties of 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 310.30 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2808329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).