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

C14H16FN3O — CID 66032392

IUPAC3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C14H16FN3O/c15-12-4-2-1-3-9(12)8-13-17-14(19-18-13)10-5-6-11(16)7-10/h1-4,10-11H,5-8,16H2
InChIKeyJCNBCOOCRUMDJY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.39
Rot. Bonds3

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

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 66032392) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID66032392
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCC(c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C14H16FN3O/c15-12-4-2-1-3-9(12)8-13-17-14(19-18-13)10-5-6-11(16)7-10/h1-4,10-11H,5-8,16H2
InChIKeyJCNBCOOCRUMDJY-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031194
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
cis-(1S,3R)-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323384
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 114429886
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030799
cis-(1S,3R)-3-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323312
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031999
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345144
N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62594126

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 66032392) is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1CCC(c2nc(Cc3ccccc3F)no2)C1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is JCNBCOOCRUMDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-4-2-1-3-9(12)8-13-17-14(19-18-13)10-5-6-11(16)7-10/h1-4,10-11H,5-8,16H2.
What are the key properties of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 66032392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).