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

C19H20ClN3O — CID 120841238

IUPAC5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc2c(-c3noc([C@@]45CCC[C@@H]4CNC5)n3)cccc2c1
InChIInChI=1S/C19H19N3O.ClH/c1-2-8-15-13(5-1)6-3-9-16(15)17-21-18(23-22-17)19-10-4-7-14(19)11-20-12-19;/h1-3,5-6,8-9,14,20H,4,7,10-12H2;1H/t14-,19-;/m1./s1
InChIKeyBJQFGLVWLBGYQA-HNJSCFAESA-N
MW341.84 g/mol
LogP3.95
Rot. Bonds2

About 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

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 (PubChem CID 120841238) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID120841238
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc2c(-c3noc([C@@]45CCC[C@@H]4CNC5)n3)cccc2c1
InChIInChI=1S/C19H19N3O.ClH/c1-2-8-15-13(5-1)6-3-9-16(15)17-21-18(23-22-17)19-10-4-7-14(19)11-20-12-19;/h1-3,5-6,8-9,14,20H,4,7,10-12H2;1H/t14-,19-;/m1./s1
InChIKeyBJQFGLVWLBGYQA-HNJSCFAESA-N
XLogP3.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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-naphthalen-1-yl-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-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride (CID 120841238) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cl.c1ccc2c(-c3noc([C@@]45CCC[C@@H]4CNC5)n3)cccc2c1.
What is the InChIKey of 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?
The InChIKey is BJQFGLVWLBGYQA-HNJSCFAESA-N. The full InChI is InChI=1S/C19H19N3O.ClH/c1-2-8-15-13(5-1)6-3-9-16(15)17-21-18(23-22-17)19-10-4-7-14(19)11-20-12-19;/h1-3,5-6,8-9,14,20H,4,7,10-12H2;1H/t14-,19-;/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-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride?
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 has a molecular weight of 341.84 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120841238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).