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

C9H14FN3O — CID 126857808

IUPAC2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1noc(CNC2CCCC2F)n1
InChIInChI=1S/C9H14FN3O/c1-6-12-9(14-13-6)5-11-8-4-2-3-7(8)10/h7-8,11H,2-5H2,1H3
InChIKeyXSIMYRPHDPKQGL-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.36
Rot. Bonds3

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

2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 126857808) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID126857808
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1noc(CNC2CCCC2F)n1
InChIInChI=1S/C9H14FN3O/c1-6-12-9(14-13-6)5-11-8-4-2-3-7(8)10/h7-8,11H,2-5H2,1H3
InChIKeyXSIMYRPHDPKQGL-UHFFFAOYSA-N
XLogP1.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 61015493
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 115716903
trans-(1R,2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106416752
(3aS,4R,7aR)-2-benzyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 129446459
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
CID 61014333
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244542
3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
CID 80705304
cis-(1S,2R)-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 126997347
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
[(1R,2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptyl]methanol
CID 99613956

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine (CID 126857808) is 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine is Cc1noc(CNC2CCCC2F)n1.
What is the InChIKey of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is XSIMYRPHDPKQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6-12-9(14-13-6)5-11-8-4-2-3-7(8)10/h7-8,11H,2-5H2,1H3.
What are the key properties of 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 199.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 126857808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).