1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine

C33H23ClN8O2 — CID 69413395

IUPAC1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine
SMILESCc1ccc(-c2cnc(N(c3ccc4cn[nH]c4c3)N(c3ccc4cn[nH]c4c3)c3ncc(-c4cccc(Cl)c4)o3)o2)cc1
InChIInChI=1S/C33H23ClN8O2/c1-20-5-7-21(8-6-20)30-18-35-32(43-30)41(26-11-9-23-16-37-39-28(23)14-26)42(27-12-10-24-17-38-40-29(24)15-27)33-36-19-31(44-33)22-3-2-4-25(34)13-22/h2-19H,1H3,(H,37,39)(H,38,40)
InChIKeyFDZMVOWLKHKMTO-UHFFFAOYSA-N
MW599.05 g/mol
LogP8.60
Rot. Bonds7

About 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine

1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine (PubChem CID 69413395) has the molecular formula C33H23ClN8O2 and a molecular weight of 599.05 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine
PubChem CID69413395
Molecular FormulaC33H23ClN8O2
Molecular Weight599.05 g/mol
Exact Mass598.16
IUPAC Name1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine
SMILESCc1ccc(-c2cnc(N(c3ccc4cn[nH]c4c3)N(c3ccc4cn[nH]c4c3)c3ncc(-c4cccc(Cl)c4)o3)o2)cc1
InChIInChI=1S/C33H23ClN8O2/c1-20-5-7-21(8-6-20)30-18-35-32(43-30)41(26-11-9-23-16-37-39-28(23)14-26)42(27-12-10-24-17-38-40-29(24)15-27)33-36-19-31(44-33)22-3-2-4-25(34)13-22/h2-19H,1H3,(H,37,39)(H,38,40)
InChIKeyFDZMVOWLKHKMTO-UHFFFAOYSA-N
XLogP8.60
TPSA115.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.05
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine (CID 69413395) is 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine is Cc1ccc(-c2cnc(N(c3ccc4cn[nH]c4c3)N(c3ccc4cn[nH]c4c3)c3ncc(-c4cccc(Cl)c4)o3)o2)cc1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine?
The InChIKey is FDZMVOWLKHKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23ClN8O2/c1-20-5-7-21(8-6-20)30-18-35-32(43-30)41(26-11-9-23-16-37-39-28(23)14-26)42(27-12-10-24-17-38-40-29(24)15-27)33-36-19-31(44-33)22-3-2-4-25(34)13-22/h2-19H,1H3,(H,37,39)(H,38,40).
What are the key properties of 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine?
1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine has a molecular weight of 599.05 g/mol, XLogP of 8.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-1,2-bis(1H-indazol-6-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]hydrazine is sourced from PubChem (CID 69413395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).