2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole

C22H14ClN3O — CID 24807210

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H14ClN3O/c23-16-12-10-15(11-13-16)21-18(14-26(25-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)27-22/h1-14H
InChIKeyDOSXARJBOWEEKP-UHFFFAOYSA-N
MW371.83 g/mol
LogP6.00
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole (PubChem CID 24807210) has the molecular formula C22H14ClN3O and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole
PubChem CID24807210
Molecular FormulaC22H14ClN3O
Molecular Weight371.83 g/mol
Exact Mass371.08
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H14ClN3O/c23-16-12-10-15(11-13-16)21-18(14-26(25-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)27-22/h1-14H
InChIKeyDOSXARJBOWEEKP-UHFFFAOYSA-N
XLogP6.00
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole (CID 24807210) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole is Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole?
The InChIKey is DOSXARJBOWEEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O/c23-16-12-10-15(11-13-16)21-18(14-26(25-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)27-22/h1-14H.
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole has a molecular weight of 371.83 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 24807210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).