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

C17H14F3N3O2 — CID 126767383

IUPAC5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2ccc(CNc3nnc(C4CC4)o3)o2)c1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)14-7-6-13(24-14)9-21-16-23-22-15(25-16)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,21,23)
InChIKeyOVESMTGIZCSLFM-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.84
Rot. Bonds5

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

5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126767383) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126767383
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2ccc(CNc3nnc(C4CC4)o3)o2)c1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)14-7-6-13(24-14)9-21-16-23-22-15(25-16)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,21,23)
InChIKeyOVESMTGIZCSLFM-UHFFFAOYSA-N
XLogP4.84
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 126767383) is 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(-c2ccc(CNc3nnc(C4CC4)o3)o2)c1.
What is the InChIKey of 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OVESMTGIZCSLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)12-3-1-2-11(8-12)14-7-6-13(24-14)9-21-16-23-22-15(25-16)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,21,23).
What are the key properties of 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 349.31 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126767383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).