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

C9H13F3N2O2 — CID 66274446

IUPACN-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COC(C)C(F)(F)F)on1
InChIInChI=1S/C9H13F3N2O2/c1-6(9(10,11)12)15-5-8-3-7(4-13-2)14-16-8/h3,6,13H,4-5H2,1-2H3
InChIKeyIHQIVQYTWBORKN-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.86
Rot. Bonds5

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

N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 66274446) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID66274446
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COC(C)C(F)(F)F)on1
InChIInChI=1S/C9H13F3N2O2/c1-6(9(10,11)12)15-5-8-3-7(4-13-2)14-16-8/h3,6,13H,4-5H2,1-2H3
InChIKeyIHQIVQYTWBORKN-UHFFFAOYSA-N
XLogP1.86
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine (CID 66274446) is N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine is CNCc1cc(COC(C)C(F)(F)F)on1.
What is the InChIKey of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is IHQIVQYTWBORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6(9(10,11)12)15-5-8-3-7(4-13-2)14-16-8/h3,6,13H,4-5H2,1-2H3.
What are the key properties of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 238.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 66274446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).