1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine

C9H13F3N2O2 — CID 103246018

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESCc1cnc(C(C)NCCOC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O2/c1-6-5-14-8(16-6)7(2)13-3-4-15-9(10,11)12/h5,7,13H,3-4H2,1-2H3
InChIKeyBKJHCQLMRHTBQX-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.17
Rot. Bonds5

About 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 103246018) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID103246018
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESCc1cnc(C(C)NCCOC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O2/c1-6-5-14-8(16-6)7(2)13-3-4-15-9(10,11)12/h5,7,13H,3-4H2,1-2H3
InChIKeyBKJHCQLMRHTBQX-UHFFFAOYSA-N
XLogP2.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 103246018) is 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is Cc1cnc(C(C)NCCOC(F)(F)F)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is BKJHCQLMRHTBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6-5-14-8(16-6)7(2)13-3-4-15-9(10,11)12/h5,7,13H,3-4H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 238.21 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 103246018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).