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

C7H10F3N3O2 — CID 70458363

IUPACN'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(OC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)15-6-13-4-5(14-6)3-12-2-1-11/h4,12H,1-3,11H2
InChIKeySWRDBRQPHJDDTQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.62
Rot. Bonds5

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

N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 70458363) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID70458363
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC NameN'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(OC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)15-6-13-4-5(14-6)3-12-2-1-11/h4,12H,1-3,11H2
InChIKeySWRDBRQPHJDDTQ-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

N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458100
N'-[(2-fluoro-1,3-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70458137
5-(Piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
CID 82663544
[5-(Trifluoromethyl)-1,3-oxazol-2-yl] carbamate
CID 90284947
5-Methyl-2-(trifluoromethoxy)-1,3-oxazole
CID 118466181
2,2,2-trifluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 61318733
N-(1,3-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65964657
3,3,3-trifluoro-N-(1,3-oxazol-5-ylmethyl)propan-1-amine
CID 65966594
Methyl({[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl})amine
CID 82654237
1-[2-(difluoromethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
CID 84764458
1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]-N-methylmethanamine
CID 84767076
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103726112

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine (CID 70458363) is N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine is NCCNCc1cnc(OC(F)(F)F)o1.
What is the InChIKey of N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is SWRDBRQPHJDDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)15-6-13-4-5(14-6)3-12-2-1-11/h4,12H,1-3,11H2.
What are the key properties of N'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine?
N'-[[2-(trifluoromethoxy)-1,3-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'-[[2-(trifluoromethoxy)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).