(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

C15H18FN3O3 — CID 154768252

IUPAC(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESNC[C@@H]1C[C@@H](c2nc(COc3ccccc3F)no2)C[C@@H]1O
InChIInChI=1S/C15H18FN3O3/c16-11-3-1-2-4-13(11)21-8-14-18-15(22-19-14)9-5-10(7-17)12(20)6-9/h1-4,9-10,12,20H,5-8,17H2/t9-,10+,12+/m1/s1
InChIKeyJWNJOYSOIWNMPU-SCVCMEIPSA-N
MW307.32 g/mol
LogP1.60
Rot. Bonds5

About (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 154768252) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID154768252
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESNC[C@@H]1C[C@@H](c2nc(COc3ccccc3F)no2)C[C@@H]1O
InChIInChI=1S/C15H18FN3O3/c16-11-3-1-2-4-13(11)21-8-14-18-15(22-19-14)9-5-10(7-17)12(20)6-9/h1-4,9-10,12,20H,5-8,17H2/t9-,10+,12+/m1/s1
InChIKeyJWNJOYSOIWNMPU-SCVCMEIPSA-N
XLogP1.60
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 120893599
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893573
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893605
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
1-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 120893585
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46171762
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 154768252) is (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is NC[C@@H]1C[C@@H](c2nc(COc3ccccc3F)no2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is JWNJOYSOIWNMPU-SCVCMEIPSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-11-3-1-2-4-13(11)21-8-14-18-15(22-19-14)9-5-10(7-17)12(20)6-9/h1-4,9-10,12,20H,5-8,17H2/t9-,10+,12+/m1/s1.
What are the key properties of (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 307.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 154768252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).