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

C12H19F2N3O2 — CID 103146367

IUPAC1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(CCOCC(F)F)no2)CCCC1
InChIInChI=1S/C12H19F2N3O2/c13-9(14)8-18-6-3-10-16-11(19-17-10)7-12(15)4-1-2-5-12/h9H,1-8,15H2
InChIKeySODLUGAFYAQNQG-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.71
Rot. Bonds7

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

1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 103146367) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID103146367
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(CCOCC(F)F)no2)CCCC1
InChIInChI=1S/C12H19F2N3O2/c13-9(14)8-18-6-3-10-16-11(19-17-10)7-12(15)4-1-2-5-12/h9H,1-8,15H2
InChIKeySODLUGAFYAQNQG-UHFFFAOYSA-N
XLogP1.71
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 103146367) is 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is NC1(Cc2nc(CCOCC(F)F)no2)CCCC1.
What is the InChIKey of 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is SODLUGAFYAQNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c13-9(14)8-18-6-3-10-16-11(19-17-10)7-12(15)4-1-2-5-12/h9H,1-8,15H2.
What are the key properties of 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 275.30 g/mol, XLogP of 1.71, 7 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-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 103146367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).