1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C18H14F2N2O3S — CID 19578607

IUPAC1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCc1ccccc1OCc1nnc(SCC(=O)c2ccc(F)cc2F)o1
InChIInChI=1S/C18H14F2N2O3S/c1-11-4-2-3-5-16(11)24-9-17-21-22-18(25-17)26-10-15(23)13-7-6-12(19)8-14(13)20/h2-8H,9-10H2,1H3
InChIKeyOIAQGPJCJVFTGF-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.21
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 19578607) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID19578607
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCc1ccccc1OCc1nnc(SCC(=O)c2ccc(F)cc2F)o1
InChIInChI=1S/C18H14F2N2O3S/c1-11-4-2-3-5-16(11)24-9-17-21-22-18(25-17)26-10-15(23)13-7-6-12(19)8-14(13)20/h2-8H,9-10H2,1H3
InChIKeyOIAQGPJCJVFTGF-UHFFFAOYSA-N
XLogP4.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 19578607) is 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is Cc1ccccc1OCc1nnc(SCC(=O)c2ccc(F)cc2F)o1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is OIAQGPJCJVFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c1-11-4-2-3-5-16(11)24-9-17-21-22-18(25-17)26-10-15(23)13-7-6-12(19)8-14(13)20/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 376.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 19578607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).