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

C16H20FN3O — CID 63350199

IUPACN-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H20FN3O/c1-2-18-14-8-4-7-13(14)16-19-15(20-21-16)10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14,18H,2,4,7-8,10H2,1H3
InChIKeyKQTGMRNVLBMCRI-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.05
Rot. Bonds5

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

N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 63350199) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID63350199
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H20FN3O/c1-2-18-14-8-4-7-13(14)16-19-15(20-21-16)10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14,18H,2,4,7-8,10H2,1H3
InChIKeyKQTGMRNVLBMCRI-UHFFFAOYSA-N
XLogP3.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350856
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347737
N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63348137
N-ethyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83191950
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 107282911
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
5-(3-bicyclo[3.2.1]octanyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 166326629
3-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780837
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63892003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 63350199) is N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CCNC1CCCC1c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is KQTGMRNVLBMCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-18-14-8-4-7-13(14)16-19-15(20-21-16)10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14,18H,2,4,7-8,10H2,1H3.
What are the key properties of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 63350199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).