5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C14H10F3N3O2S — CID 110456544

IUPAC5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccsc1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H10F3N3O2S/c1-21-10-6-7-23-11(10)12-19-20-13(22-12)18-9-4-2-8(3-5-9)14(15,16)17/h2-7H,1H3,(H,18,20)
InChIKeyFJXXKBVOCRUKTK-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.57
Rot. Bonds4

About 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 110456544) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID110456544
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccsc1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H10F3N3O2S/c1-21-10-6-7-23-11(10)12-19-20-13(22-12)18-9-4-2-8(3-5-9)14(15,16)17/h2-7H,1H3,(H,18,20)
InChIKeyFJXXKBVOCRUKTK-UHFFFAOYSA-N
XLogP4.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 110456544) is 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is COc1ccsc1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FJXXKBVOCRUKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-21-10-6-7-23-11(10)12-19-20-13(22-12)18-9-4-2-8(3-5-9)14(15,16)17/h2-7H,1H3,(H,18,20).
What are the key properties of 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 341.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxythiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).