N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

C11H17F3N2O2 — CID 66275106

IUPACN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COC(C)C(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O2/c1-7(2)15-5-9-4-10(18-16-9)6-17-8(3)11(12,13)14/h4,7-8,15H,5-6H2,1-3H3
InChIKeyCHTQNWRFTOXPAH-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.64
Rot. Bonds6

About N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 66275106) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID66275106
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COC(C)C(F)(F)F)on1
InChIInChI=1S/C11H17F3N2O2/c1-7(2)15-5-9-4-10(18-16-9)6-17-8(3)11(12,13)14/h4,7-8,15H,5-6H2,1-3H3
InChIKeyCHTQNWRFTOXPAH-UHFFFAOYSA-N
XLogP2.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 66275106) is N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COC(C)C(F)(F)F)on1.
What is the InChIKey of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is CHTQNWRFTOXPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-7(2)15-5-9-4-10(18-16-9)6-17-8(3)11(12,13)14/h4,7-8,15H,5-6H2,1-3H3.
What are the key properties of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 266.26 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66275106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).