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

C14H18N2O — CID 134695050

IUPAC5-hexyl-3-pyridin-3-yl-1,2-oxazole
SMILESCCCCCCc1cc(-c2cccnc2)no1
InChIInChI=1S/C14H18N2O/c1-2-3-4-5-8-13-10-14(16-17-13)12-7-6-9-15-11-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyNPNRUEMRFFNHQD-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.86
Rot. Bonds6

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

5-hexyl-3-pyridin-3-yl-1,2-oxazole (PubChem CID 134695050) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-hexyl-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-hexyl-3-pyridin-3-yl-1,2-oxazole
PubChem CID134695050
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-hexyl-3-pyridin-3-yl-1,2-oxazole
SMILESCCCCCCc1cc(-c2cccnc2)no1
InChIInChI=1S/C14H18N2O/c1-2-3-4-5-8-13-10-14(16-17-13)12-7-6-9-15-11-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyNPNRUEMRFFNHQD-UHFFFAOYSA-N
XLogP3.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.86
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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Related Compounds

5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
3-(5-pentyl-1H-imidazol-2-yl)pyridine
CID 69088600
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-hexyl-3-pyridin-3-yl-1,2-oxazole (CID 134695050) is 5-hexyl-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-hexyl-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-hexyl-3-pyridin-3-yl-1,2-oxazole is CCCCCCc1cc(-c2cccnc2)no1.
What is the InChIKey of 5-hexyl-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is NPNRUEMRFFNHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-5-8-13-10-14(16-17-13)12-7-6-9-15-11-12/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 5-hexyl-3-pyridin-3-yl-1,2-oxazole?
5-hexyl-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 230.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 134695050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).