2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole

C17H12F2N2O2S — CID 68663873

IUPAC2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1F
InChIInChI=1S/C17H12F2N2O2S/c18-13-3-1-10(7-14(13)19)9-24-17-21-20-16(23-17)12-2-4-15-11(8-12)5-6-22-15/h1-4,7-8H,5-6,9H2
InChIKeyRFMLZOGPTBCCPB-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.24
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole

2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole (PubChem CID 68663873) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
PubChem CID68663873
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1F
InChIInChI=1S/C17H12F2N2O2S/c18-13-3-1-10(7-14(13)19)9-24-17-21-20-16(23-17)12-2-4-15-11(8-12)5-6-22-15/h1-4,7-8H,5-6,9H2
InChIKeyRFMLZOGPTBCCPB-UHFFFAOYSA-N
XLogP4.24
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663686
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[6-(6-fluoro-3-pyridinyl)-3-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
CID 122194768
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663221
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629781
2-(2-chloroethyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 62199935
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065644
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581
2-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7534146
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060788

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole (CID 68663873) is 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole is Fc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1F.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole?
The InChIKey is RFMLZOGPTBCCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-13-3-1-10(7-14(13)19)9-24-17-21-20-16(23-17)12-2-4-15-11(8-12)5-6-22-15/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole?
2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole has a molecular weight of 346.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 68663873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).