[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine

C19H16ClF3N4O2 — CID 162763696

IUPAC[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine
SMILESNCC1CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C19H16ClF3N4O2/c20-11-5-14(13-3-1-2-4-16(13)28-10-19(21,22)23)17-26-15(9-27(17)8-11)18-25-7-12(6-24)29-18/h1-5,8-9,12H,6-7,10,24H2
InChIKeyKGBRKCYPJSZTSU-UHFFFAOYSA-N
MW424.81 g/mol
LogP3.70
Rot. Bonds5

About [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine

[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine (PubChem CID 162763696) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine
PubChem CID162763696
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine
SMILESNCC1CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1
InChIInChI=1S/C19H16ClF3N4O2/c20-11-5-14(13-3-1-2-4-16(13)28-10-19(21,22)23)17-26-15(9-27(17)8-11)18-25-7-12(6-24)29-18/h1-5,8-9,12H,6-7,10,24H2
InChIKeyKGBRKCYPJSZTSU-UHFFFAOYSA-N
XLogP3.70
TPSA74.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine (CID 162763696) is [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine is NCC1CN=C(c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)O1.
What is the InChIKey of [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine?
The InChIKey is KGBRKCYPJSZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c20-11-5-14(13-3-1-2-4-16(13)28-10-19(21,22)23)17-26-15(9-27(17)8-11)18-25-7-12(6-24)29-18/h1-5,8-9,12H,6-7,10,24H2.
What are the key properties of [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine?
[2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine has a molecular weight of 424.81 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 162763696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).