5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C17H12F2N6O2 — CID 162722527

IUPAC5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)no2)cn1
InChIInChI=1S/C17H12F2N6O2/c18-14(19)17-24-23-16(26-17)10-3-1-9(2-4-10)7-13-22-15(27-25-13)11-5-6-12(20)21-8-11/h1-6,8,14H,7H2,(H2,20,21)
InChIKeyPDZBHMBGJJHFSA-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.29
Rot. Bonds5

About 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 162722527) has the molecular formula C17H12F2N6O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID162722527
Molecular FormulaC17H12F2N6O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)no2)cn1
InChIInChI=1S/C17H12F2N6O2/c18-14(19)17-24-23-16(26-17)10-3-1-9(2-4-10)7-13-22-15(27-25-13)11-5-6-12(20)21-8-11/h1-6,8,14H,7H2,(H2,20,21)
InChIKeyPDZBHMBGJJHFSA-UHFFFAOYSA-N
XLogP3.29
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 162722527) is 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)no2)cn1.
What is the InChIKey of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is PDZBHMBGJJHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O2/c18-14(19)17-24-23-16(26-17)10-3-1-9(2-4-10)7-13-22-15(27-25-13)11-5-6-12(20)21-8-11/h1-6,8,14H,7H2,(H2,20,21).
What are the key properties of 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 370.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 162722527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).