oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

C21H27N5O5 — CID 71536748

IUPACoxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(CCN3CCCCC3)o2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C19H25N5O.C2H2O4/c1-14(2)24-16-9-5-4-8-15(16)18(22-24)19-21-20-17(25-19)10-13-23-11-6-3-7-12-23;3-1(4)2(5)6/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYDQDIKYQYPYXMY-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.85
Rot. Bonds5

About oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole

oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 71536748) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Nameoxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID71536748
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Nameoxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole
SMILESCC(C)n1nc(-c2nnc(CCN3CCCCC3)o2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C19H25N5O.C2H2O4/c1-14(2)24-16-9-5-4-8-15(16)18(22-24)19-21-20-17(25-19)10-13-23-11-6-3-7-12-23;3-1(4)2(5)6/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYDQDIKYQYPYXMY-UHFFFAOYSA-N
XLogP2.85
TPSA134.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole (CID 71536748) is oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is CC(C)n1nc(-c2nnc(CCN3CCCCC3)o2)c2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is YDQDIKYQYPYXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.C2H2O4/c1-14(2)24-16-9-5-4-8-15(16)18(22-24)19-21-20-17(25-19)10-13-23-11-6-3-7-12-23;3-1(4)2(5)6/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole?
oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 429.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(2-piperidin-1-ylethyl)-5-(1-propan-2-ylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71536748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).