[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate

C23H23ClN4O6 — CID 71613090

IUPAC[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate
SMILESCOCCOCCOC(=O)OCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C23H23ClN4O6/c1-30-8-9-31-10-11-32-23(29)33-15-28-20-7-6-19(12-17(20)13-26-28)27-22-25-14-21(34-22)16-2-4-18(24)5-3-16/h2-7,12-14H,8-11,15H2,1H3,(H,25,27)
InChIKeyGKVYZRBIWQAJHQ-UHFFFAOYSA-N
MW486.91 g/mol
LogP4.86
Rot. Bonds11

About [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate

[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate (PubChem CID 71613090) has the molecular formula C23H23ClN4O6 and a molecular weight of 486.91 g/mol. Its IUPAC name is [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate.

Molecular Properties

Compound Name[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate
PubChem CID71613090
Molecular FormulaC23H23ClN4O6
Molecular Weight486.91 g/mol
Exact Mass486.13
IUPAC Name[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate
SMILESCOCCOCCOC(=O)OCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C23H23ClN4O6/c1-30-8-9-31-10-11-32-23(29)33-15-28-20-7-6-19(12-17(20)13-26-28)27-22-25-14-21(34-22)16-2-4-18(24)5-3-16/h2-7,12-14H,8-11,15H2,1H3,(H,25,27)
InChIKeyGKVYZRBIWQAJHQ-UHFFFAOYSA-N
XLogP4.86
TPSA109.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.91
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate?
The IUPAC name of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate (CID 71613090) is [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate.
What is the SMILES notation for [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate?
The canonical SMILES for [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate is COCCOCCOC(=O)OCn1ncc2cc(Nc3ncc(-c4ccc(Cl)cc4)o3)ccc21.
What is the InChIKey of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate?
The InChIKey is GKVYZRBIWQAJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O6/c1-30-8-9-31-10-11-32-23(29)33-15-28-20-7-6-19(12-17(20)13-26-28)27-22-25-14-21(34-22)16-2-4-18(24)5-3-16/h2-7,12-14H,8-11,15H2,1H3,(H,25,27).
What are the key properties of [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate?
[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate has a molecular weight of 486.91 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methyl 2-(2-methoxyethoxy)ethyl carbonate is sourced from PubChem (CID 71613090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).