N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H20F3N3O — CID 102673117

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1nc(CNC2CCN(CC(F)(F)F)CC2)oc1C
InChIInChI=1S/C13H20F3N3O/c1-9-10(2)20-12(18-9)7-17-11-3-5-19(6-4-11)8-13(14,15)16/h11,17H,3-8H2,1-2H3
InChIKeyUAZPQJXYUSYTTG-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.41
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 102673117) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID102673117
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1nc(CNC2CCN(CC(F)(F)F)CC2)oc1C
InChIInChI=1S/C13H20F3N3O/c1-9-10(2)20-12(18-9)7-17-11-3-5-19(6-4-11)8-13(14,15)16/h11,17H,3-8H2,1-2H3
InChIKeyUAZPQJXYUSYTTG-UHFFFAOYSA-N
XLogP2.41
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988839
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75443117
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97328936
(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 164639573
2-(4,4-Difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
CID 118297283
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 170133718
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylpropan-2-amine
CID 170144644
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 60972922
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226435

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 102673117) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1nc(CNC2CCN(CC(F)(F)F)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is UAZPQJXYUSYTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9-10(2)20-12(18-9)7-17-11-3-5-19(6-4-11)8-13(14,15)16/h11,17H,3-8H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 102673117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).