5-bromo-2-pentyl-1,3-oxazole

C8H12BrNO — CID 67062833

IUPAC5-bromo-2-pentyl-1,3-oxazole
SMILESCCCCCc1ncc(Br)o1
InChIInChI=1S/C8H12BrNO/c1-2-3-4-5-8-10-6-7(9)11-8/h6H,2-5H2,1H3
InChIKeyCFSIEXJQBKPDDD-UHFFFAOYSA-N
MW218.09 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-2-pentyl-1,3-oxazole

5-bromo-2-pentyl-1,3-oxazole (PubChem CID 67062833) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 5-bromo-2-pentyl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-pentyl-1,3-oxazole
PubChem CID67062833
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name5-bromo-2-pentyl-1,3-oxazole
SMILESCCCCCc1ncc(Br)o1
InChIInChI=1S/C8H12BrNO/c1-2-3-4-5-8-10-6-7(9)11-8/h6H,2-5H2,1H3
InChIKeyCFSIEXJQBKPDDD-UHFFFAOYSA-N
XLogP3.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dipentyl-1,3-oxazole
CID 67264472
(5-bromo-1,3-oxazol-2-yl)methanethiol
CID 117188007
5-bromo-2-hexylpyrimidine
CID 122446219
5-[[4-(chloromethyl)phenyl]sulfanylmethyl]-2-pentyl-1,3-oxazole
CID 174976672
5-(bromomethyl)-2-propyl-1,3-oxazole
CID 165441984
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-pentyl-1,3,4-oxadiazole
CID 17244515
5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole
CID 5250460
2-bromo-5-pentylpyridine
CID 170248675
2-octyl-1,3,4-oxadiazole
CID 17244516
5-bromo-2-undecyl-1,3-thiazole
CID 147585581
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pentyl-1,3-oxazole?
The IUPAC name of 5-bromo-2-pentyl-1,3-oxazole (CID 67062833) is 5-bromo-2-pentyl-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-pentyl-1,3-oxazole?
The canonical SMILES for 5-bromo-2-pentyl-1,3-oxazole is CCCCCc1ncc(Br)o1.
What is the InChIKey of 5-bromo-2-pentyl-1,3-oxazole?
The InChIKey is CFSIEXJQBKPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-2-3-4-5-8-10-6-7(9)11-8/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-2-pentyl-1,3-oxazole?
5-bromo-2-pentyl-1,3-oxazole has a molecular weight of 218.09 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pentyl-1,3-oxazole is sourced from PubChem (CID 67062833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).