5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole

C10H19NO — CID 12794211

IUPAC5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCCC1CC(C)=NO1
InChIInChI=1S/C10H19NO/c1-3-4-5-6-7-10-8-9(2)11-12-10/h10H,3-8H2,1-2H3
InChIKeyOQJYBCIFKVIUKR-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.12
Rot. Bonds5

About 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole

5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 12794211) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID12794211
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCCC1CC(C)=NO1
InChIInChI=1S/C10H19NO/c1-3-4-5-6-7-10-8-9(2)11-12-10/h10H,3-8H2,1-2H3
InChIKeyOQJYBCIFKVIUKR-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.12
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

4-fluoro-3-pentyl-5,6-dihydro-4H-oxazine
CID 13789900
5-Methyl-3-pentyl-4,5-dihydro-1,2-oxazole
CID 23396999
3,5-Dibutyl-4,5-dihydro-1,2-oxazole
CID 121216456
3-Butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
CID 135039737
5-Methyl-3-octyl-4,5-dihydro-1,2-oxazole
CID 164671064
(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334638
(5R)-3-ethyl-5-[(1S)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334639
3-pentyl-5,6-dihydro-4H-oxazine
CID 13789891
3-Butyl-4,5-dihydro-1,2-oxazole
CID 12415358
3-Methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 13165515
3-Methyl-5-butylisoxazoline
CID 13358884
N-dodecoxypropan-2-imine
CID 13454287

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 12794211) is 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole is CCCCCCC1CC(C)=NO1.
What is the InChIKey of 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is OQJYBCIFKVIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-6-7-10-8-9(2)11-12-10/h10H,3-8H2,1-2H3.
What are the key properties of 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole?
5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 169.27 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12794211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).