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

C7H10F3N3O2 — CID 70458636

IUPACN'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(OC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)14-6-3-5(15-13-6)4-12-2-1-11/h3,12H,1-2,4,11H2
InChIKeyUEOOTQZGKVDQLN-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.62
Rot. Bonds5

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

N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 70458636) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID70458636
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC NameN'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(OC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)14-6-3-5(15-13-6)4-12-2-1-11/h3,12H,1-2,4,11H2
InChIKeyUEOOTQZGKVDQLN-UHFFFAOYSA-N
XLogP0.62
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-5-isoxazolemethanamine
CID 2763227
3-methoxy-N-(2,2,2-trifluoroethyl)isoxazole-5-carboxamide
CID 71802478
(3-Methoxyisoxazol-5-yl)methanamine hydrochloride
CID 21292276
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]formamide
CID 54379071
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]acetamide
CID 59223456
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine
CID 59539336
N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70457689
2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine
CID 71141186
[(3-Methoxy-1,2-oxazol-5-yl)methyl](methyl)amine
CID 82594372
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine
CID 89018600
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine
CID 148982082
(3-Methoxy-1,2-oxazol-5-yl)methylazanium
CID 7127180

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine (CID 70458636) is N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine is NCCNCc1cc(OC(F)(F)F)no1.
What is the InChIKey of N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is UEOOTQZGKVDQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)14-6-3-5(15-13-6)4-12-2-1-11/h3,12H,1-2,4,11H2.
What are the key properties of N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine?
N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 225.17 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).