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

C12H18F3N3O — CID 103096788

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(CNC2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C12H18F3N3O/c1-9-6-17-11(19-9)7-16-10-2-4-18(5-3-10)8-12(13,14)15/h6,10,16H,2-5,7-8H2,1H3
InChIKeyPYBRQNWXXBOUOT-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.10
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103096788) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103096788
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(CNC2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C12H18F3N3O/c1-9-6-17-11(19-9)7-16-10-2-4-18(5-3-10)8-12(13,14)15/h6,10,16H,2-5,7-8H2,1H3
InChIKeyPYBRQNWXXBOUOT-UHFFFAOYSA-N
XLogP2.10
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103096788) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cnc(CNC2CCN(CC(F)(F)F)CC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PYBRQNWXXBOUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9-6-17-11(19-9)7-16-10-2-4-18(5-3-10)8-12(13,14)15/h6,10,16H,2-5,7-8H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103096788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).