5-heptyl-3-pyridin-3-yl-1,2-oxazole

C15H20N2O — CID 91710254

IUPAC5-heptyl-3-pyridin-3-yl-1,2-oxazole
SMILESCCCCCCCc1cc(-c2cccnc2)no1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-6-9-14-11-15(17-18-14)13-8-7-10-16-12-13/h7-8,10-12H,2-6,9H2,1H3
InChIKeySSECDFQCLRNTTK-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.25
Rot. Bonds7

About 5-heptyl-3-pyridin-3-yl-1,2-oxazole

5-heptyl-3-pyridin-3-yl-1,2-oxazole (PubChem CID 91710254) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-heptyl-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-heptyl-3-pyridin-3-yl-1,2-oxazole
PubChem CID91710254
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-heptyl-3-pyridin-3-yl-1,2-oxazole
SMILESCCCCCCCc1cc(-c2cccnc2)no1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-6-9-14-11-15(17-18-14)13-8-7-10-16-12-13/h7-8,10-12H,2-6,9H2,1H3
InChIKeySSECDFQCLRNTTK-UHFFFAOYSA-N
XLogP4.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-heptyl-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-heptyl-3-pyridin-3-yl-1,2-oxazole (CID 91710254) is 5-heptyl-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-heptyl-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-heptyl-3-pyridin-3-yl-1,2-oxazole is CCCCCCCc1cc(-c2cccnc2)no1.
What is the InChIKey of 5-heptyl-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is SSECDFQCLRNTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-6-9-14-11-15(17-18-14)13-8-7-10-16-12-13/h7-8,10-12H,2-6,9H2,1H3.
What are the key properties of 5-heptyl-3-pyridin-3-yl-1,2-oxazole?
5-heptyl-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 244.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 91710254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).