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

C24H33N5O6 — CID 171344196

IUPAC2-methyl-4-[4-[5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-2-ol;oxalic acid
SMILESCC(C)n1nc(-c2nnc(C3CCN(CCC(C)(C)O)CC3)o2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C22H31N5O2.C2H2O4/c1-15(2)27-18-8-6-5-7-17(18)19(25-27)21-24-23-20(29-21)16-9-12-26(13-10-16)14-11-22(3,4)28;3-1(4)2(5)6/h5-8,15-16,28H,9-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyQZQBGNSOHKJTFF-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.16
Rot. Bonds6

About 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

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 (PubChem CID 171344196) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-4-[4-[5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-2-ol;oxalic acid
PubChem CID171344196
Molecular FormulaC24H33N5O6
Molecular Weight487.56 g/mol
Exact Mass487.24
IUPAC Name2-methyl-4-[4-[5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-2-ol;oxalic acid
SMILESCC(C)n1nc(-c2nnc(C3CCN(CCC(C)(C)O)CC3)o2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C22H31N5O2.C2H2O4/c1-15(2)27-18-8-6-5-7-17(18)19(25-27)21-24-23-20(29-21)16-9-12-26(13-10-16)14-11-22(3,4)28;3-1(4)2(5)6/h5-8,15-16,28H,9-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyQZQBGNSOHKJTFF-UHFFFAOYSA-N
XLogP3.16
TPSA154.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
CID 71536748
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
2-[1-(2-methoxyethyl)piperidin-2-yl]-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
CID 172777098
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92566218
bis(3-[5-[cyclobutyl(piperidin-4-yl)methyl]-1H-imidazol-2-yl]-1-propan-2-ylindazole);oxalic acid
CID 174693197
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 15941056
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963272

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1nc(-c2nnc(C3CCN(CCC(C)(C)O)CC3)o2)c2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of 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?
The InChIKey is QZQBGNSOHKJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.C2H2O4/c1-15(2)27-18-8-6-5-7-17(18)19(25-27)21-24-23-20(29-21)16-9-12-26(13-10-16)14-11-22(3,4)28;3-1(4)2(5)6/h5-8,15-16,28H,9-14H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 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?
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 has a molecular weight of 487.56 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).