9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride

C24H25ClN4O3 — CID 70382905

IUPAC9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride
SMILESCl.O=C(Nc1noc(C2CN3CCC2CC3)n1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H24N4O3.ClH/c29-24(26-23-25-22(31-27-23)20-13-28-11-9-15(20)10-12-28)30-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;/h1-8,15,20-21H,9-14H2,(H,26,27,29);1H
InChIKeyHUSDDTHNYXULOV-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.66
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride (PubChem CID 70382905) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride
PubChem CID70382905
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride
SMILESCl.O=C(Nc1noc(C2CN3CCC2CC3)n1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H24N4O3.ClH/c29-24(26-23-25-22(31-27-23)20-13-28-11-9-15(20)10-12-28)30-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;/h1-8,15,20-21H,9-14H2,(H,26,27,29);1H
InChIKeyHUSDDTHNYXULOV-UHFFFAOYSA-N
XLogP4.66
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid
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9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
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9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
5-(1-azabicyclo[2.2.2]octan-3-yl)-N-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazole-3-carboxamide;dihydrochloride
CID 19959298
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CID 178202530
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 167729661
(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178198439
9H-fluoren-9-ylmethyl N-[13-(9H-fluoren-9-ylmethoxycarbonylamino)-3,11-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-5-yl]carbamate
CID 132517761
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
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9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride (CID 70382905) is 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride is Cl.O=C(Nc1noc(C2CN3CCC2CC3)n1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride?
The InChIKey is HUSDDTHNYXULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.ClH/c29-24(26-23-25-22(31-27-23)20-13-28-11-9-15(20)10-12-28)30-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;/h1-8,15,20-21H,9-14H2,(H,26,27,29);1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride has a molecular weight of 452.94 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride is sourced from PubChem (CID 70382905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).