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

C10H7N3O — CID 25104005

IUPAC2-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccn[nH]3)nc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-9-7(3-1)12-10(14-9)8-5-6-11-13-8/h1-6H,(H,11,13)
InChIKeyPDHMUMUKXPBAJD-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

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

2-(1H-pyrazol-5-yl)-1,3-benzoxazole (PubChem CID 25104005) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1,3-benzoxazole
PubChem CID25104005
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccn[nH]3)nc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-9-7(3-1)12-10(14-9)8-5-6-11-13-8/h1-6H,(H,11,13)
InChIKeyPDHMUMUKXPBAJD-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-benzoxazole (CID 25104005) is 2-(1H-pyrazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1,3-benzoxazole is c1ccc2oc(-c3ccn[nH]3)nc2c1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The InChIKey is PDHMUMUKXPBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-4-9-7(3-1)12-10(14-9)8-5-6-11-13-8/h1-6H,(H,11,13).
What are the key properties of 2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
2-(1H-pyrazol-5-yl)-1,3-benzoxazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 25104005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).