7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol

C20H23N3O2 — CID 11416453

IUPAC7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol
SMILESOC(CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1
InChIInChI=1S/C20H23N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-21-15-19(25-20)17-12-8-14-22-23-17/h3,5-6,8,10-12,14-15,18,24H,1-2,4,7,9,13H2
InChIKeyPZKBHWSXUXCHCR-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.36
Rot. Bonds9

About 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol

7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol (PubChem CID 11416453) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol.

Molecular Properties

Compound Name7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol
PubChem CID11416453
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol
SMILESOC(CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1
InChIInChI=1S/C20H23N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-21-15-19(25-20)17-12-8-14-22-23-17/h3,5-6,8,10-12,14-15,18,24H,1-2,4,7,9,13H2
InChIKeyPZKBHWSXUXCHCR-UHFFFAOYSA-N
XLogP4.36
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol?
The IUPAC name of 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol (CID 11416453) is 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol.
What is the SMILES notation for 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol?
The canonical SMILES for 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol is OC(CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1.
What is the InChIKey of 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol?
The InChIKey is PZKBHWSXUXCHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-21-15-19(25-20)17-12-8-14-22-23-17/h3,5-6,8,10-12,14-15,18,24H,1-2,4,7,9,13H2.
What are the key properties of 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol?
7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol has a molecular weight of 337.42 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)heptan-1-ol is sourced from PubChem (CID 11416453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).