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

C10H5Cl2N3O — CID 122185527

IUPAC6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(-c3cc(Cl)[nH]n3)oc2c1
InChIInChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15)
InChIKeyYZTQZDVPRRIYLO-UHFFFAOYSA-N
MW254.08 g/mol
LogP3.52
Rot. Bonds1

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

6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole (PubChem CID 122185527) has the molecular formula C10H5Cl2N3O and a molecular weight of 254.08 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
PubChem CID122185527
Molecular FormulaC10H5Cl2N3O
Molecular Weight254.08 g/mol
Exact Mass252.98
IUPAC Name6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(-c3cc(Cl)[nH]n3)oc2c1
InChIInChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15)
InChIKeyYZTQZDVPRRIYLO-UHFFFAOYSA-N
XLogP3.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole (CID 122185527) is 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole is Clc1ccc2nc(-c3cc(Cl)[nH]n3)oc2c1.
What is the InChIKey of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
The InChIKey is YZTQZDVPRRIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15).
What are the key properties of 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole?
6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole has a molecular weight of 254.08 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 122185527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).