2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole

C20H16FN3O3S — CID 33301306

IUPAC2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccccc1-c1nnc(SCc2coc(-c3cccc(F)c3)n2)o1
InChIInChI=1S/C20H16FN3O3S/c1-2-25-17-9-4-3-8-16(17)19-23-24-20(27-19)28-12-15-11-26-18(22-15)13-6-5-7-14(21)10-13/h3-11H,2,12H2,1H3
InChIKeyGJOUJDPUKMNFEU-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.22
Rot. Bonds7

About 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole

2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 33301306) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID33301306
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccccc1-c1nnc(SCc2coc(-c3cccc(F)c3)n2)o1
InChIInChI=1S/C20H16FN3O3S/c1-2-25-17-9-4-3-8-16(17)19-23-24-20(27-19)28-12-15-11-26-18(22-15)13-6-5-7-14(21)10-13/h3-11H,2,12H2,1H3
InChIKeyGJOUJDPUKMNFEU-UHFFFAOYSA-N
XLogP5.22
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39534012
2-(3-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859893
N-benzyl-2-ethoxy-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56675601
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 33289299
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33345512
2-(4-chlorophenyl)-5-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 31759028
2-(2-ethoxyphenyl)-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 47773535
2-(3-fluorophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 33287348

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 33301306) is 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole is CCOc1ccccc1-c1nnc(SCc2coc(-c3cccc(F)c3)n2)o1.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is GJOUJDPUKMNFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-2-25-17-9-4-3-8-16(17)19-23-24-20(27-19)28-12-15-11-26-18(22-15)13-6-5-7-14(21)10-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 397.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 33301306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).