2-hexyl-4,5-dimethyl-1,3-oxazole

C11H19NO — CID 525781

IUPAC2-hexyl-4,5-dimethyl-1,3-oxazole
SMILESCCCCCCc1nc(C)c(C)o1
InChIInChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
InChIKeyKNPWGHJHGHEJLW-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.41
Rot. Bonds5

About 2-hexyl-4,5-dimethyl-1,3-oxazole

2-hexyl-4,5-dimethyl-1,3-oxazole (PubChem CID 525781) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-hexyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-hexyl-4,5-dimethyl-1,3-oxazole
PubChem CID525781
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-hexyl-4,5-dimethyl-1,3-oxazole
SMILESCCCCCCc1nc(C)c(C)o1
InChIInChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
InChIKeyKNPWGHJHGHEJLW-UHFFFAOYSA-N
XLogP3.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.41
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

4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Butyl-4,5-dimethyloxazole
CID 522807
4-Butyl-2,5-dimethyloxazole
CID 525777
4,5-Dimethyl-2-pentyloxazole
CID 525787
2-Butyl-5-ethyl-4-methyl-1,3-oxazole
CID 580388
2-Butyl-4,5-diethyloxazole
CID 525778
2-Butyl-5-methyl-4-propyloxazole
CID 525779
5-Ethyl-2-hexyl-4-methyloxazole
CID 525782
2-Butyl-4-ethyl-5-methyl-1,3-oxazole
CID 580707
5-Ethyl-4-methyl-2-pentyloxazole
CID 525788
2,5-Dibutyl-4-methyl-1,3-oxazole
CID 71409403

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-hexyl-4,5-dimethyl-1,3-oxazole (CID 525781) is 2-hexyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-hexyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-hexyl-4,5-dimethyl-1,3-oxazole is CCCCCCc1nc(C)c(C)o1.
What is the InChIKey of 2-hexyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is KNPWGHJHGHEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3.
What are the key properties of 2-hexyl-4,5-dimethyl-1,3-oxazole?
2-hexyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 525781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).