1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

C12H18F3N3O2 — CID 103146083

IUPAC1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(CCOCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-6-3-9-17-10(20-18-9)7-11(16)4-1-2-5-11/h1-8,16H2
InChIKeyRAPIMRZIMUKGJA-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.01
Rot. Bonds6

About 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 103146083) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID103146083
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(CCOCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-6-3-9-17-10(20-18-9)7-11(16)4-1-2-5-11/h1-8,16H2
InChIKeyRAPIMRZIMUKGJA-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64673217
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64673218
N-methyl-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 65243267
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79952702
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 79953257
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 79953699
N-methyl-1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 79955014
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 81932083
1-[5-[3-(Trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 81932116
1-[5-(4,4-Difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 81933261
1-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 82008046

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 103146083) is 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is NC1(Cc2nc(CCOCC(F)(F)F)no2)CCCC1.
What is the InChIKey of 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is RAPIMRZIMUKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-6-3-9-17-10(20-18-9)7-11(16)4-1-2-5-11/h1-8,16H2.
What are the key properties of 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 293.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 103146083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).