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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Related Compounds

methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51488523
(4-bromophenyl)-[3-(1-phenylpyrazol-4-yl)-1-benzofuran-2-yl]methanone
CID 44724814
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine
CID 81470577
3-anthracen-2-yl-1,2-benzoxazole
CID 153493009
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
3-(1-chloropropyl)-5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103095653
4-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-1-[3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458016
N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine
CID 115914335

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).