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

C12H19F3N2O2 — CID 66274445

IUPAC2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(OCc1cc(CNC(C)(C)C)no1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-8(12(13,14)15)18-7-10-5-9(17-19-10)6-16-11(2,3)4/h5,8,16H,6-7H2,1-4H3
InChIKeyCPSAMWBFJCKVHI-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.03
Rot. Bonds5

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

2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 66274445) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID66274445
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(OCc1cc(CNC(C)(C)C)no1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-8(12(13,14)15)18-7-10-5-9(17-19-10)6-16-11(2,3)4/h5,8,16H,6-7H2,1-4H3
InChIKeyCPSAMWBFJCKVHI-UHFFFAOYSA-N
XLogP3.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 66274445) is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(OCc1cc(CNC(C)(C)C)no1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is CPSAMWBFJCKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-8(12(13,14)15)18-7-10-5-9(17-19-10)6-16-11(2,3)4/h5,8,16H,6-7H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 280.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66274445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).