2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C13H8ClFN2OS — CID 22432251

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H8ClFN2OS/c14-9-3-1-4-10(15)8(9)7-12-16-17-13(18-12)11-5-2-6-19-11/h1-6H,7H2
InChIKeyDSIVCHGITFLMHA-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.18
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 22432251) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID22432251
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H8ClFN2OS/c14-9-3-1-4-10(15)8(9)7-12-16-17-13(18-12)11-5-2-6-19-11/h1-6H,7H2
InChIKeyDSIVCHGITFLMHA-UHFFFAOYSA-N
XLogP4.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
2-(4-Chlorophenyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole
CID 1484134
4-Fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
CID 44460133
2,2,2-Trifluoro-1-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44563237
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527
2-(4-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 644516
2-(2-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 647044
2-(3-Chloro-6-fluoro-benzo[b]thiophen-2-yl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 653520
2-[(4-Chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857326
2-(3-Chloro-1-benzothiophen-2-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 1588040

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 22432251) is 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Fc1cccc(Cl)c1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is DSIVCHGITFLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c14-9-3-1-4-10(15)8(9)7-12-16-17-13(18-12)11-5-2-6-19-11/h1-6H,7H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 294.74 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 22432251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).