N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine

C8H11F3N2O — CID 79140220

IUPACN-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-12-4-6-7(14-5-13-6)2-3-8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyZXERVJVZHMKBMB-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.89
Rot. Bonds4

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

N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79140220) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79140220
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-12-4-6-7(14-5-13-6)2-3-8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyZXERVJVZHMKBMB-UHFFFAOYSA-N
XLogP1.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine (CID 79140220) is N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine is CNCc1ncoc1CCC(F)(F)F.
What is the InChIKey of N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is ZXERVJVZHMKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-12-4-6-7(14-5-13-6)2-3-8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 208.18 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79140220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).