3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole

C12H9N3O — CID 24764436

IUPAC3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccn[nH]3)on2)cc1
InChIInChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)
InChIKeySRSSTOPJERVMRZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.73
Rot. Bonds2

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

3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole (PubChem CID 24764436) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole
PubChem CID24764436
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccn[nH]3)on2)cc1
InChIInChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)
InChIKeySRSSTOPJERVMRZ-UHFFFAOYSA-N
XLogP2.73
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole (CID 24764436) is 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole is c1ccc(-c2cc(-c3ccn[nH]3)on2)cc1.
What is the InChIKey of 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole?
The InChIKey is SRSSTOPJERVMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14).
What are the key properties of 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole?
3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole has a molecular weight of 211.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1H-pyrazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 24764436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).