5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C13H8F2N2OS — CID 2740948

IUPAC5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1cc(F)cc(Cc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C13H8F2N2OS/c14-9-4-8(5-10(15)7-9)6-12-16-13(17-18-12)11-2-1-3-19-11/h1-5,7H,6H2
InChIKeySLTDZGMPEQQETH-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.67
Rot. Bonds3

About 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2740948) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2740948
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1cc(F)cc(Cc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C13H8F2N2OS/c14-9-4-8(5-10(15)7-9)6-12-16-13(17-18-12)11-2-1-3-19-11/h1-5,7H,6H2
InChIKeySLTDZGMPEQQETH-UHFFFAOYSA-N
XLogP3.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 2740948) is 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Fc1cc(F)cc(Cc2nc(-c3cccs3)no2)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is SLTDZGMPEQQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-9-4-8(5-10(15)7-9)6-12-16-13(17-18-12)11-2-1-3-19-11/h1-5,7H,6H2.
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 278.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2740948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).