2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C15H10F3N3O3S — CID 52906365

IUPAC2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1nnc(-c2ccsc2)o1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)24-11-3-1-10(2-4-11)19-12(22)7-13-20-21-14(23-13)9-5-6-25-8-9/h1-6,8H,7H2,(H,19,22)
InChIKeyDEJIITLBBHRMSM-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.88
Rot. Bonds5

About 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 52906365) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID52906365
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC Name2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1nnc(-c2ccsc2)o1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)24-11-3-1-10(2-4-11)19-12(22)7-13-20-21-14(23-13)9-5-6-25-8-9/h1-6,8H,7H2,(H,19,22)
InChIKeyDEJIITLBBHRMSM-UHFFFAOYSA-N
XLogP3.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 52906365) is 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1nnc(-c2ccsc2)o1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DEJIITLBBHRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c16-15(17,18)24-11-3-1-10(2-4-11)19-12(22)7-13-20-21-14(23-13)9-5-6-25-8-9/h1-6,8H,7H2,(H,19,22).
What are the key properties of 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 369.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 52906365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).