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

C11H17F3N2O — CID 79145870

IUPAC2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(2)5-15-6-9-10(17-7-16-9)3-4-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyBJXDWDAAULLKKT-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.92
Rot. Bonds6

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

2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79145870) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79145870
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(2)5-15-6-9-10(17-7-16-9)3-4-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyBJXDWDAAULLKKT-UHFFFAOYSA-N
XLogP2.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79145870) is 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1ncoc1CCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is BJXDWDAAULLKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)5-15-6-9-10(17-7-16-9)3-4-11(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.26 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).