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

C18H15F2N7O — CID 162722224

IUPAC5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine
SMILESC[C@H](c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1
InChIInChI=1S/C18H15F2N7O/c1-10(27-9-14(23-26-27)13-6-7-15(21)22-8-13)11-2-4-12(5-3-11)17-24-25-18(28-17)16(19)20/h2-10,16H,1H3,(H2,21,22)/t10-/m1/s1
InChIKeyIABFZVIFJNAXPL-SNVBAGLBSA-N
MW383.36 g/mol
LogP3.52
Rot. Bonds5

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

5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162722224) has the molecular formula C18H15F2N7O and a molecular weight of 383.36 g/mol. Its IUPAC name is 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine
PubChem CID162722224
Molecular FormulaC18H15F2N7O
Molecular Weight383.36 g/mol
Exact Mass383.13
IUPAC Name5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine
SMILESC[C@H](c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1
InChIInChI=1S/C18H15F2N7O/c1-10(27-9-14(23-26-27)13-6-7-15(21)22-8-13)11-2-4-12(5-3-11)17-24-25-18(28-17)16(19)20/h2-10,16H,1H3,(H2,21,22)/t10-/m1/s1
InChIKeyIABFZVIFJNAXPL-SNVBAGLBSA-N
XLogP3.52
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine (CID 162722224) is 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine is C[C@H](c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1.
What is the InChIKey of 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is IABFZVIFJNAXPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15F2N7O/c1-10(27-9-14(23-26-27)13-6-7-15(21)22-8-13)11-2-4-12(5-3-11)17-24-25-18(28-17)16(19)20/h2-10,16H,1H3,(H2,21,22)/t10-/m1/s1.
What are the key properties of 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine?
5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 383.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1R)-1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).