1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C18H14ClFN2O4S — CID 1134748

IUPAC1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H14ClFN2O4S/c1-24-16-7-2-11(19)8-14(16)15(23)10-27-18-22-21-17(26-18)9-25-13-5-3-12(20)4-6-13/h2-8H,9-10H2,1H3
InChIKeySSWMTWQOHAIPEN-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.42
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 1134748) has the molecular formula C18H14ClFN2O4S and a molecular weight of 408.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID1134748
Molecular FormulaC18H14ClFN2O4S
Molecular Weight408.84 g/mol
Exact Mass408.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H14ClFN2O4S/c1-24-16-7-2-11(19)8-14(16)15(23)10-27-18-22-21-17(26-18)9-25-13-5-3-12(20)4-6-13/h2-8H,9-10H2,1H3
InChIKeySSWMTWQOHAIPEN-UHFFFAOYSA-N
XLogP4.42
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone with MolForge

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Related Compounds

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CID 1134874
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CID 72204481
CID 147373071
CID 147373071
CID 148137406
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CID 1134678
CID 1134678
CID 72204100
CID 72204100
CID 171351583
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CID 855330
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CID 1134887
CID 1134887

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 1134748) is 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is COc1ccc(Cl)cc1C(=O)CSc1nnc(COc2ccc(F)cc2)o1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is SSWMTWQOHAIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4S/c1-24-16-7-2-11(19)8-14(16)15(23)10-27-18-22-21-17(26-18)9-25-13-5-3-12(20)4-6-13/h2-8H,9-10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 408.84 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 1134748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).