5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride

C18H24ClN3O3 — CID 120838912

IUPAC5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOc1cccc(COCc2noc([C@@]34CCC[C@@H]3CNC4)n2)c1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-22-15-6-2-4-13(8-15)10-23-11-16-20-17(24-21-16)18-7-3-5-14(18)9-19-12-18;/h2,4,6,8,14,19H,3,5,7,9-12H2,1H3;1H/t14-,18-;/m1./s1
InChIKeyBFWZQEIPJHBXGM-KEZWHQCISA-N
MW365.86 g/mol
LogP2.86
Rot. Bonds6

About 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride

5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120838912) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120838912
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOc1cccc(COCc2noc([C@@]34CCC[C@@H]3CNC4)n2)c1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-22-15-6-2-4-13(8-15)10-23-11-16-20-17(24-21-16)18-7-3-5-14(18)9-19-12-18;/h2,4,6,8,14,19H,3,5,7,9-12H2,1H3;1H/t14-,18-;/m1./s1
InChIKeyBFWZQEIPJHBXGM-KEZWHQCISA-N
XLogP2.86
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838949
3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838978
(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
5-(4,4-difluoropyrrolidin-2-yl)-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 120838871
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride
CID 120841238
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-tert-butyl-1,2,4-oxadiazole;hydrochloride
CID 120837527
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[4-[(2-fluorophenoxy)methyl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120840679
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 61291586
5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 167776047
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120838748
[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride
CID 120838927
6-[(3-methoxyphenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775645

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride (CID 120838912) is 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride is COc1cccc(COCc2noc([C@@]34CCC[C@@H]3CNC4)n2)c1.Cl.
What is the InChIKey of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is BFWZQEIPJHBXGM-KEZWHQCISA-N. The full InChI is InChI=1S/C18H23N3O3.ClH/c1-22-15-6-2-4-13(8-15)10-23-11-16-20-17(24-21-16)18-7-3-5-14(18)9-19-12-18;/h2,4,6,8,14,19H,3,5,7,9-12H2,1H3;1H/t14-,18-;/m1./s1.
What are the key properties of 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride?
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120838912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).