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

C13H20F3N3O — CID 103893621

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(C(C)NC2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C13H20F3N3O/c1-9-7-17-12(20-9)10(2)18-11-3-5-19(6-4-11)8-13(14,15)16/h7,10-11,18H,3-6,8H2,1-2H3
InChIKeyXROZZXCHGPINDX-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.66
Rot. Bonds4

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103893621) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103893621
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(C(C)NC2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C13H20F3N3O/c1-9-7-17-12(20-9)10(2)18-11-3-5-19(6-4-11)8-13(14,15)16/h7,10-11,18H,3-6,8H2,1-2H3
InChIKeyXROZZXCHGPINDX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103893621) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cnc(C(C)NC2CCN(CC(F)(F)F)CC2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is XROZZXCHGPINDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9-7-17-12(20-9)10(2)18-11-3-5-19(6-4-11)8-13(14,15)16/h7,10-11,18H,3-6,8H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103893621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).