2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole

C21H14Cl2N4O2 — CID 126481269

IUPAC2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole
SMILESCC(Oc1ccc2[nH]nc(-c3nc4ccccc4o3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H14Cl2N4O2/c1-11(19-14(22)9-24-10-15(19)23)28-12-6-7-16-13(8-12)20(27-26-16)21-25-17-4-2-3-5-18(17)29-21/h2-11H,1H3,(H,26,27)
InChIKeyMJDJBGMYWSQWDT-UHFFFAOYSA-N
MW425.28 g/mol
LogP6.21
Rot. Bonds4

About 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole

2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole (PubChem CID 126481269) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole
PubChem CID126481269
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole
SMILESCC(Oc1ccc2[nH]nc(-c3nc4ccccc4o3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H14Cl2N4O2/c1-11(19-14(22)9-24-10-15(19)23)28-12-6-7-16-13(8-12)20(27-26-16)21-25-17-4-2-3-5-18(17)29-21/h2-11H,1H3,(H,26,27)
InChIKeyMJDJBGMYWSQWDT-UHFFFAOYSA-N
XLogP6.21
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole (CID 126481269) is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole is CC(Oc1ccc2[nH]nc(-c3nc4ccccc4o3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole?
The InChIKey is MJDJBGMYWSQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c1-11(19-14(22)9-24-10-15(19)23)28-12-6-7-16-13(8-12)20(27-26-16)21-25-17-4-2-3-5-18(17)29-21/h2-11H,1H3,(H,26,27).
What are the key properties of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole?
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole has a molecular weight of 425.28 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 126481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).