3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole

C16H11N3O — CID 10355283

IUPAC3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
SMILESc1ccc(-n2cc(-c3noc4ccccc34)cn2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-13(7-3-1)19-11-12(10-17-19)16-14-8-4-5-9-15(14)20-18-16/h1-11H
InChIKeyAMEMZCHEQJCGPS-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.68
Rot. Bonds2

About 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole

3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole (PubChem CID 10355283) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
PubChem CID10355283
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
SMILESc1ccc(-n2cc(-c3noc4ccccc34)cn2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-13(7-3-1)19-11-12(10-17-19)16-14-8-4-5-9-15(14)20-18-16/h1-11H
InChIKeyAMEMZCHEQJCGPS-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole (CID 10355283) is 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole is c1ccc(-n2cc(-c3noc4ccccc34)cn2)cc1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
The InChIKey is AMEMZCHEQJCGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-6-13(7-3-1)19-11-12(10-17-19)16-14-8-4-5-9-15(14)20-18-16/h1-11H.
What are the key properties of 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole has a molecular weight of 261.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole is sourced from PubChem (CID 10355283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).