2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole

C18H17N5O — CID 56872855

IUPAC2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3nccn3CCCn3cccn3)co2)cc1
InChIInChI=1S/C18H17N5O/c1-2-6-15(7-3-1)18-21-16(14-24-18)17-19-9-13-22(17)10-5-12-23-11-4-8-20-23/h1-4,6-9,11,13-14H,5,10,12H2
InChIKeyOELZKPYTHNRTRZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.49
Rot. Bonds6

About 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole

2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole (PubChem CID 56872855) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole
PubChem CID56872855
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3nccn3CCCn3cccn3)co2)cc1
InChIInChI=1S/C18H17N5O/c1-2-6-15(7-3-1)18-21-16(14-24-18)17-19-9-13-22(17)10-5-12-23-11-4-8-20-23/h1-4,6-9,11,13-14H,5,10,12H2
InChIKeyOELZKPYTHNRTRZ-UHFFFAOYSA-N
XLogP3.49
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole (CID 56872855) is 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole is c1ccc(-c2nc(-c3nccn3CCCn3cccn3)co2)cc1.
What is the InChIKey of 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole?
The InChIKey is OELZKPYTHNRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-6-15(7-3-1)18-21-16(14-24-18)17-19-9-13-22(17)10-5-12-23-11-4-8-20-23/h1-4,6-9,11,13-14H,5,10,12H2.
What are the key properties of 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole?
2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole has a molecular weight of 319.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 56872855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).