N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine

C7H10F3N3O — CID 70458100

IUPACN'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)6-13-4-5(14-6)3-12-2-1-11/h4,12H,1-3,11H2
InChIKeyFMYLTPSDUNORAD-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.74
Rot. Bonds4

About N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine

N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 70458100) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID70458100
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)6-13-4-5(14-6)3-12-2-1-11/h4,12H,1-3,11H2
InChIKeyFMYLTPSDUNORAD-UHFFFAOYSA-N
XLogP0.74
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine (CID 70458100) is N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine is NCCNCc1cnc(C(F)(F)F)o1.
What is the InChIKey of N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is FMYLTPSDUNORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)6-13-4-5(14-6)3-12-2-1-11/h4,12H,1-3,11H2.
What are the key properties of N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 209.17 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).