N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H17F3N2O2 — CID 106371388

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCc1cnc(CNCCCOCC(F)(F)F)o1
InChIInChI=1S/C11H17F3N2O2/c1-2-9-6-16-10(18-9)7-15-4-3-5-17-8-11(12,13)14/h6,15H,2-5,7-8H2,1H3
InChIKeyIYFJDJXFRLHPCB-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.30
Rot. Bonds8

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106371388) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106371388
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCc1cnc(CNCCCOCC(F)(F)F)o1
InChIInChI=1S/C11H17F3N2O2/c1-2-9-6-16-10(18-9)7-15-4-3-5-17-8-11(12,13)14/h6,15H,2-5,7-8H2,1H3
InChIKeyIYFJDJXFRLHPCB-UHFFFAOYSA-N
XLogP2.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.30
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 N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106371388) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCc1cnc(CNCCCOCC(F)(F)F)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is IYFJDJXFRLHPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-9-6-16-10(18-9)7-15-4-3-5-17-8-11(12,13)14/h6,15H,2-5,7-8H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 266.26 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106371388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).