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

C18H15FN2O4S — CID 1134887

IUPAC1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H15FN2O4S/c1-23-14-6-8-15(9-7-14)24-10-17-20-21-18(25-17)26-11-16(22)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3
InChIKeyXOMWLDQLOUUEET-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.77
Rot. Bonds8

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

1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 1134887) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID1134887
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H15FN2O4S/c1-23-14-6-8-15(9-7-14)24-10-17-20-21-18(25-17)26-11-16(22)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3
InChIKeyXOMWLDQLOUUEET-UHFFFAOYSA-N
XLogP3.77
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone with MolForge

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Related Compounds

2-{[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}-1-phenylethanone
CID 2222060
1-p-Tolyl-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 648640
4-Methoxy-3-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-benzoic acid methyl ester
CID 654156
4-[[5-[(4-Ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid
CID 1151486
4-({[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}methyl)benzoic acid
CID 1249764
3-({[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}methyl)benzoic acid
CID 2221957
1-(4-Bromophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}thio)ethanone
CID 2304191
1-Phenyl-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 644456
4-Methoxy-3-[5-(4-methoxy-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-benzoic acid methyl ester
CID 647586
2-[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-phenyl-ethanone
CID 647838
2-[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-p-tolyl-ethanone
CID 655296
1-(4-Methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 864812

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 1134887) is 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is COc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is XOMWLDQLOUUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-23-14-6-8-15(9-7-14)24-10-17-20-21-18(25-17)26-11-16(22)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 1134887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).