N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C9H11F3N2O — CID 79144897

IUPACN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cc1ocnc1CNC1CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-8-7(14-5-15-8)4-13-6-1-2-6/h5-6,13H,1-4H2
InChIKeyGMNCFGDCZLJSBN-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.03
Rot. Bonds4

About N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79144897) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79144897
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cc1ocnc1CNC1CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-8-7(14-5-15-8)4-13-6-1-2-6/h5-6,13H,1-4H2
InChIKeyGMNCFGDCZLJSBN-UHFFFAOYSA-N
XLogP2.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79144897) is N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is FC(F)(F)Cc1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GMNCFGDCZLJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)3-8-7(14-5-15-8)4-13-6-1-2-6/h5-6,13H,1-4H2.
What are the key properties of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 220.19 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79144897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).