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

C10H15F3N2O — CID 65182761

IUPACN-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O/c1-2-4-14-5-3-9-15-7-8(16-9)6-10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyILVRPOIMJGSDTA-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.32
Rot. Bonds6

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

N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65182761) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65182761
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O/c1-2-4-14-5-3-9-15-7-8(16-9)6-10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyILVRPOIMJGSDTA-UHFFFAOYSA-N
XLogP2.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183321
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183412
N-(2-methoxyethyl)-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 103213216
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 103022695
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 65182423
2-methyl-N-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 65182161
3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186829
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
2-[5-(ethoxymethyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183157

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65182761) is N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(CC(F)(F)F)o1.
What is the InChIKey of N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is ILVRPOIMJGSDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-4-14-5-3-9-15-7-8(16-9)6-10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 236.24 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65182761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).