N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C15H19F3N4O — CID 129336683

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1noc(C)c1CNC[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H19F3N4O/c1-9-12(10(2)23-21-9)6-19-5-11-3-4-14-20-13(15(16,17)18)8-22(14)7-11/h8,11,19H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyKNZRHJSTQTUGCL-LLVKDONJSA-N
MW328.34 g/mol
LogP2.86
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129336683) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129336683
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1noc(C)c1CNC[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H19F3N4O/c1-9-12(10(2)23-21-9)6-19-5-11-3-4-14-20-13(15(16,17)18)8-22(14)7-11/h8,11,19H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyKNZRHJSTQTUGCL-LLVKDONJSA-N
XLogP2.86
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129336683) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1noc(C)c1CNC[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is KNZRHJSTQTUGCL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-9-12(10(2)23-21-9)6-19-5-11-3-4-14-20-13(15(16,17)18)8-22(14)7-11/h8,11,19H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 328.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129336683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).