5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride

C12H13ClFN3O2 — CID 120893749

IUPAC5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(OCc2noc([C@H]3CCN3)n2)c1
InChIInChI=1S/C12H12FN3O2.ClH/c13-8-2-1-3-9(6-8)17-7-11-15-12(18-16-11)10-4-5-14-10;/h1-3,6,10,14H,4-5,7H2;1H/t10-;/m1./s1
InChIKeyWLZFIEIFMIFAEB-HNCPQSOCSA-N
MW285.71 g/mol
LogP2.24
Rot. Bonds4

About 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride

5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120893749) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120893749
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC Name5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(OCc2noc([C@H]3CCN3)n2)c1
InChIInChI=1S/C12H12FN3O2.ClH/c13-8-2-1-3-9(6-8)17-7-11-15-12(18-16-11)10-4-5-14-10;/h1-3,6,10,14H,4-5,7H2;1H/t10-;/m1./s1
InChIKeyWLZFIEIFMIFAEB-HNCPQSOCSA-N
XLogP2.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
1-cyclopropyl-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 120893699
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893665
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120893632
3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120893768
3-[(3-fluorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424846
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 136569592

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride (CID 120893749) is 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride is Cl.Fc1cccc(OCc2noc([C@H]3CCN3)n2)c1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WLZFIEIFMIFAEB-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H12FN3O2.ClH/c13-8-2-1-3-9(6-8)17-7-11-15-12(18-16-11)10-4-5-14-10;/h1-3,6,10,14H,4-5,7H2;1H/t10-;/m1./s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 285.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120893749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).