2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

C23H31N5O2 — CID 171348479

IUPAC2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOCCCN1C2CCC1CC(c1nnc(-c3nn(C(C)C)c4ccccc34)o1)C2
InChIInChI=1S/C23H31N5O2/c1-15(2)28-20-8-5-4-7-19(20)21(26-28)23-25-24-22(30-23)16-13-17-9-10-18(14-16)27(17)11-6-12-29-3/h4-5,7-8,15-18H,6,9-14H2,1-3H3
InChIKeyNRVIZHOWSWLONR-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.41
Rot. Bonds7

About 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 171348479) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID171348479
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOCCCN1C2CCC1CC(c1nnc(-c3nn(C(C)C)c4ccccc34)o1)C2
InChIInChI=1S/C23H31N5O2/c1-15(2)28-20-8-5-4-7-19(20)21(26-28)23-25-24-22(30-23)16-13-17-9-10-18(14-16)27(17)11-6-12-29-3/h4-5,7-8,15-18H,6,9-14H2,1-3H3
InChIKeyNRVIZHOWSWLONR-UHFFFAOYSA-N
XLogP4.41
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
CID 172777098
2-methyl-4-[4-[5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-2-ol;oxalic acid
CID 171344196
oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
CID 71536748
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride
CID 142718995
1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone
CID 145375925
2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole
CID 91128539
N-[(1R,5S)-8-[2-[methyl-(1-methylsulfonylpyrrolidin-3-yl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11409745
N-[(1R,5S)-8-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11168289
N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67337795
4-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-2-methylphthalazin-1-one
CID 154752541

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 171348479) is 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is COCCCN1C2CCC1CC(c1nnc(-c3nn(C(C)C)c4ccccc34)o1)C2.
What is the InChIKey of 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is NRVIZHOWSWLONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-15(2)28-20-8-5-4-7-19(20)21(26-28)23-25-24-22(30-23)16-13-17-9-10-18(14-16)27(17)11-6-12-29-3/h4-5,7-8,15-18H,6,9-14H2,1-3H3.
What are the key properties of 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 409.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 171348479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).