2-pentyl-4-pyridin-2-yl-1,3-oxazole

C13H16N2O — CID 69401080

IUPAC2-pentyl-4-pyridin-2-yl-1,3-oxazole
SMILESCCCCCc1nc(-c2ccccn2)co1
InChIInChI=1S/C13H16N2O/c1-2-3-4-8-13-15-12(10-16-13)11-7-5-6-9-14-11/h5-7,9-10H,2-4,8H2,1H3
InChIKeyOFUISTGCQOWAQL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds5

About 2-pentyl-4-pyridin-2-yl-1,3-oxazole

2-pentyl-4-pyridin-2-yl-1,3-oxazole (PubChem CID 69401080) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-pentyl-4-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-pentyl-4-pyridin-2-yl-1,3-oxazole
PubChem CID69401080
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-pentyl-4-pyridin-2-yl-1,3-oxazole
SMILESCCCCCc1nc(-c2ccccn2)co1
InChIInChI=1S/C13H16N2O/c1-2-3-4-8-13-15-12(10-16-13)11-7-5-6-9-14-11/h5-7,9-10H,2-4,8H2,1H3
InChIKeyOFUISTGCQOWAQL-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
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 2-pentyl-4-pyridin-2-yl-1,3-oxazole?
The IUPAC name of 2-pentyl-4-pyridin-2-yl-1,3-oxazole (CID 69401080) is 2-pentyl-4-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-pentyl-4-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for 2-pentyl-4-pyridin-2-yl-1,3-oxazole is CCCCCc1nc(-c2ccccn2)co1.
What is the InChIKey of 2-pentyl-4-pyridin-2-yl-1,3-oxazole?
The InChIKey is OFUISTGCQOWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-4-8-13-15-12(10-16-13)11-7-5-6-9-14-11/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 2-pentyl-4-pyridin-2-yl-1,3-oxazole?
2-pentyl-4-pyridin-2-yl-1,3-oxazole has a molecular weight of 216.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 69401080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).