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

C11H16F3N3O — CID 121293284

IUPACN-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESCc1nc(CNC2CCNCC2)c(C(F)(F)F)o1
InChIInChI=1S/C11H16F3N3O/c1-7-17-9(10(18-7)11(12,13)14)6-16-8-2-4-15-5-3-8/h8,15-16H,2-6H2,1H3
InChIKeyBDDHFKYQUOKXHE-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.84
Rot. Bonds3

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

N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (PubChem CID 121293284) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
PubChem CID121293284
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESCc1nc(CNC2CCNCC2)c(C(F)(F)F)o1
InChIInChI=1S/C11H16F3N3O/c1-7-17-9(10(18-7)11(12,13)14)6-16-8-2-4-15-5-3-8/h8,15-16H,2-6H2,1H3
InChIKeyBDDHFKYQUOKXHE-UHFFFAOYSA-N
XLogP1.84
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (CID 121293284) is N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is Cc1nc(CNC2CCNCC2)c(C(F)(F)F)o1.
What is the InChIKey of N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is BDDHFKYQUOKXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7-17-9(10(18-7)11(12,13)14)6-16-8-2-4-15-5-3-8/h8,15-16H,2-6H2,1H3.
What are the key properties of N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 121293284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).