N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H16FN3O3S — CID 163408790

IUPACN-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)NCCc1cccc(F)c1
InChIInChI=1S/C18H16FN3O3S/c19-14-3-1-2-12(10-14)8-9-20-16(24)11-26-18-22-21-17(25-18)13-4-6-15(23)7-5-13/h1-7,10,23H,8-9,11H2,(H,20,24)
InChIKeyQTCZOFQMGHMJRU-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 163408790) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID163408790
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)NCCc1cccc(F)c1
InChIInChI=1S/C18H16FN3O3S/c19-14-3-1-2-12(10-14)8-9-20-16(24)11-26-18-22-21-17(25-18)13-4-6-15(23)7-5-13/h1-7,10,23H,8-9,11H2,(H,20,24)
InChIKeyQTCZOFQMGHMJRU-UHFFFAOYSA-N
XLogP3.03
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 163408790) is N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc(O)cc2)o1)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QTCZOFQMGHMJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-14-3-1-2-12(10-14)8-9-20-16(24)11-26-18-22-21-17(25-18)13-4-6-15(23)7-5-13/h1-7,10,23H,8-9,11H2,(H,20,24).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 163408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).