3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine

C15H13F3N4O2 — CID 134139235

IUPAC3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccco2)o1
InChIInChI=1S/C15H13F3N4O2/c1-2-7-19-12-9(5-6-11(20-12)15(16,17)18)13-21-22-14(24-13)10-4-3-8-23-10/h3-6,8H,2,7H2,1H3,(H,19,20)
InChIKeyMOPYJNBCJBWKNZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.23
Rot. Bonds5

About 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine

3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 134139235) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID134139235
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccco2)o1
InChIInChI=1S/C15H13F3N4O2/c1-2-7-19-12-9(5-6-11(20-12)15(16,17)18)13-21-22-14(24-13)10-4-3-8-23-10/h3-6,8H,2,7H2,1H3,(H,19,20)
InChIKeyMOPYJNBCJBWKNZ-UHFFFAOYSA-N
XLogP4.23
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine (CID 134139235) is 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine is CCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccco2)o1.
What is the InChIKey of 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MOPYJNBCJBWKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-2-7-19-12-9(5-6-11(20-12)15(16,17)18)13-21-22-14(24-13)10-4-3-8-23-10/h3-6,8H,2,7H2,1H3,(H,19,20).
What are the key properties of 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine?
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 338.29 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).