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

C14H23F3N2O2 — CID 103213242

IUPAC2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine
SMILESCC(C)CNCCCc1ncc(CCOCC(F)(F)F)o1
InChIInChI=1S/C14H23F3N2O2/c1-11(2)8-18-6-3-4-13-19-9-12(21-13)5-7-20-10-14(15,16)17/h9,11,18H,3-8,10H2,1-2H3
InChIKeyOTOAASOXZCSVKK-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.97
Rot. Bonds10

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

2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine (PubChem CID 103213242) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine
PubChem CID103213242
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine
SMILESCC(C)CNCCCc1ncc(CCOCC(F)(F)F)o1
InChIInChI=1S/C14H23F3N2O2/c1-11(2)8-18-6-3-4-13-19-9-12(21-13)5-7-20-10-14(15,16)17/h9,11,18H,3-8,10H2,1-2H3
InChIKeyOTOAASOXZCSVKK-UHFFFAOYSA-N
XLogP2.97
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.97
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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Related Compounds

2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243
N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 103213216
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213128
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
CID 65185038
2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182651
2-(1-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213132
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
N-[3-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184439
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184690
2-methyl-N-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine (CID 103213242) is 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine is CC(C)CNCCCc1ncc(CCOCC(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine?
The InChIKey is OTOAASOXZCSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-11(2)8-18-6-3-4-13-19-9-12(21-13)5-7-20-10-14(15,16)17/h9,11,18H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine?
2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine has a molecular weight of 308.34 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine is sourced from PubChem (CID 103213242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).