N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine

C20H18F3N5O — CID 164611293

IUPACN-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc2ccccn12
InChIInChI=1S/C20H18F3N5O/c1-19(2,3)26-17-15(24-14-6-4-5-11-28(14)17)12-7-9-13(10-8-12)16-25-18(29-27-16)20(21,22)23/h4-11,26H,1-3H3
InChIKeyQCKNTQLUQMEQRQ-UHFFFAOYSA-N
MW401.39 g/mol
LogP5.28
Rot. Bonds3

About N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine

N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 164611293) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID164611293
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC NameN-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc2ccccn12
InChIInChI=1S/C20H18F3N5O/c1-19(2,3)26-17-15(24-14-6-4-5-11-28(14)17)12-7-9-13(10-8-12)16-25-18(29-27-16)20(21,22)23/h4-11,26H,1-3H3
InChIKeyQCKNTQLUQMEQRQ-UHFFFAOYSA-N
XLogP5.28
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine (CID 164611293) is N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine is CC(C)(C)Nc1c(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc2ccccn12.
What is the InChIKey of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QCKNTQLUQMEQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-19(2,3)26-17-15(24-14-6-4-5-11-28(14)17)12-7-9-13(10-8-12)16-25-18(29-27-16)20(21,22)23/h4-11,26H,1-3H3.
What are the key properties of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?
N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 401.39 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164611293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).