3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine

C15H12F3N5O — CID 167851938

IUPAC3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3noc(-c4ccc5nc(C(F)(F)F)cn5c4)n3)(C1)C2
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)9-4-23-3-8(1-2-10(23)20-9)11-21-12(22-24-11)13-5-14(19,6-13)7-13/h1-4H,5-7,19H2
InChIKeyUNHGKIQQOLVBSF-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.54
Rot. Bonds2

About 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine

3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 167851938) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID167851938
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3noc(-c4ccc5nc(C(F)(F)F)cn5c4)n3)(C1)C2
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)9-4-23-3-8(1-2-10(23)20-9)11-21-12(22-24-11)13-5-14(19,6-13)7-13/h1-4H,5-7,19H2
InChIKeyUNHGKIQQOLVBSF-UHFFFAOYSA-N
XLogP2.54
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine (CID 167851938) is 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine is NC12CC(c3noc(-c4ccc5nc(C(F)(F)F)cn5c4)n3)(C1)C2.
What is the InChIKey of 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is UNHGKIQQOLVBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-15(17,18)9-4-23-3-8(1-2-10(23)20-9)11-21-12(22-24-11)13-5-14(19,6-13)7-13/h1-4H,5-7,19H2.
What are the key properties of 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine?
3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 335.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 167851938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).