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

C11H17F3N2O2 — CID 104579692

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cnc(C(C)NCCCOCC(F)(F)F)o1
InChIInChI=1S/C11H17F3N2O2/c1-8-6-16-10(18-8)9(2)15-4-3-5-17-7-11(12,13)14/h6,9,15H,3-5,7H2,1-2H3
InChIKeyYGJXGIJLUWCEDO-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.60
Rot. Bonds7

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 104579692) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID104579692
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cnc(C(C)NCCCOCC(F)(F)F)o1
InChIInChI=1S/C11H17F3N2O2/c1-8-6-16-10(18-8)9(2)15-4-3-5-17-7-11(12,13)14/h6,9,15H,3-5,7H2,1-2H3
InChIKeyYGJXGIJLUWCEDO-UHFFFAOYSA-N
XLogP2.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.60
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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 104579692) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1cnc(C(C)NCCCOCC(F)(F)F)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is YGJXGIJLUWCEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-8-6-16-10(18-8)9(2)15-4-3-5-17-7-11(12,13)14/h6,9,15H,3-5,7H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 266.26 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 104579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).