[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate

C19H17FN2O3S — CID 166234380

IUPAC[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate
SMILESCC(SCc1ccccc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O3S/c1-13(26-12-14-5-3-2-4-6-14)19(23)24-11-17-21-22-18(25-17)15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3
InChIKeyGOJJEUIGSANDJW-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.24
Rot. Bonds7

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

[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate (PubChem CID 166234380) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate
PubChem CID166234380
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate
SMILESCC(SCc1ccccc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O3S/c1-13(26-12-14-5-3-2-4-6-14)19(23)24-11-17-21-22-18(25-17)15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3
InChIKeyGOJJEUIGSANDJW-UHFFFAOYSA-N
XLogP4.24
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 25468617
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17297277
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
CID 46519545
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoate
CID 75510883
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 16527478
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 41153264
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
CID 2081182
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985549
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 55944656
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 52988982
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408438

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate?
The IUPAC name of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate (CID 166234380) is [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate is CC(SCc1ccccc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate?
The InChIKey is GOJJEUIGSANDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-13(26-12-14-5-3-2-4-6-14)19(23)24-11-17-21-22-18(25-17)15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate?
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate has a molecular weight of 372.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate is sourced from PubChem (CID 166234380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).