3,5-dipentyl-1,2-oxazole

C13H23NO — CID 66668490

IUPAC3,5-dipentyl-1,2-oxazole
SMILESCCCCCc1cc(CCCCC)on1
InChIInChI=1S/C13H23NO/c1-3-5-7-9-12-11-13(15-14-12)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyQKTRJLDPEQJXHR-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.14
Rot. Bonds8

About 3,5-dipentyl-1,2-oxazole

3,5-dipentyl-1,2-oxazole (PubChem CID 66668490) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3,5-dipentyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dipentyl-1,2-oxazole
PubChem CID66668490
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3,5-dipentyl-1,2-oxazole
SMILESCCCCCc1cc(CCCCC)on1
InChIInChI=1S/C13H23NO/c1-3-5-7-9-12-11-13(15-14-12)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyQKTRJLDPEQJXHR-UHFFFAOYSA-N
XLogP4.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.14
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-(3-heptyl-1,2-oxazol-5-yl)ethanol
CID 65017895
(3-butyl-1,2-oxazol-5-yl)methanol
CID 12045691
5-benzyl-3-dodecyl-1,2-oxazole
CID 10592339
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
3-butyl-5-methyl-1,2-oxazole
CID 19872036
3-octyl-1,2-oxazol-5-amine
CID 65427877
3-decyl-1,2-oxazole-5-carbaldehyde
CID 18372911
3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
CID 66952939
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
ethyl 5-tridecyl-1,2-oxazole-3-carboxylate
CID 13169319
1-(3-butyl-1,2-oxazol-5-yl)ethanamine
CID 114420285
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675

Frequently Asked Questions

What is the IUPAC name of 3,5-dipentyl-1,2-oxazole?
The IUPAC name of 3,5-dipentyl-1,2-oxazole (CID 66668490) is 3,5-dipentyl-1,2-oxazole.
What is the SMILES notation for 3,5-dipentyl-1,2-oxazole?
The canonical SMILES for 3,5-dipentyl-1,2-oxazole is CCCCCc1cc(CCCCC)on1.
What is the InChIKey of 3,5-dipentyl-1,2-oxazole?
The InChIKey is QKTRJLDPEQJXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-7-9-12-11-13(15-14-12)10-8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 3,5-dipentyl-1,2-oxazole?
3,5-dipentyl-1,2-oxazole has a molecular weight of 209.33 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-1,2-oxazole is sourced from PubChem (CID 66668490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).