6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole

C10H4Cl3N3O — CID 122185528

IUPAC6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(-c3n[nH]c(Cl)c3Cl)oc2c1
InChIInChI=1S/C10H4Cl3N3O/c11-4-1-2-5-6(3-4)17-10(14-5)8-7(12)9(13)16-15-8/h1-3H,(H,15,16)
InChIKeyZVCGVXRSDFMHIH-UHFFFAOYSA-N
MW288.52 g/mol
LogP4.18
Rot. Bonds1

About 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole

6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole (PubChem CID 122185528) has the molecular formula C10H4Cl3N3O and a molecular weight of 288.52 g/mol. Its IUPAC name is 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole
PubChem CID122185528
Molecular FormulaC10H4Cl3N3O
Molecular Weight288.52 g/mol
Exact Mass286.94
IUPAC Name6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(-c3n[nH]c(Cl)c3Cl)oc2c1
InChIInChI=1S/C10H4Cl3N3O/c11-4-1-2-5-6(3-4)17-10(14-5)8-7(12)9(13)16-15-8/h1-3H,(H,15,16)
InChIKeyZVCGVXRSDFMHIH-UHFFFAOYSA-N
XLogP4.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole (CID 122185528) is 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole is Clc1ccc2nc(-c3n[nH]c(Cl)c3Cl)oc2c1.
What is the InChIKey of 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
The InChIKey is ZVCGVXRSDFMHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3N3O/c11-4-1-2-5-6(3-4)17-10(14-5)8-7(12)9(13)16-15-8/h1-3H,(H,15,16).
What are the key properties of 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole has a molecular weight of 288.52 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 122185528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).