5-ethyl-4-methyl-2-pentyl-1,3-oxazole

C11H19NO — CID 525788

IUPAC5-ethyl-4-methyl-2-pentyl-1,3-oxazole
SMILESCCCCCc1nc(C)c(CC)o1
InChIInChI=1S/C11H19NO/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3
InChIKeyCJVUTPBIHCDRQD-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.28
Rot. Bonds5

About 5-ethyl-4-methyl-2-pentyl-1,3-oxazole

5-ethyl-4-methyl-2-pentyl-1,3-oxazole (PubChem CID 525788) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-pentyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-pentyl-1,3-oxazole
PubChem CID525788
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-ethyl-4-methyl-2-pentyl-1,3-oxazole
SMILESCCCCCc1nc(C)c(CC)o1
InChIInChI=1S/C11H19NO/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3
InChIKeyCJVUTPBIHCDRQD-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-Ethyl-2,5-dimethyloxazole
CID 121694
2-Butyl-4,5-dimethyloxazole
CID 522807
4-Butyl-2,5-dimethyloxazole
CID 525777
2-Ethyl-4-methyl-5-propyloxazole
CID 525780
4,5-Dimethyl-2-pentyloxazole
CID 525787
2-Butyl-5-ethyl-4-methyl-1,3-oxazole
CID 580388
5-Butyl-4-ethyl-2-methyl-1,3-oxazole
CID 71414755
2,4-Dimethyl-5-propyloxazole
CID 525774
2-Butyl-4,5-diethyloxazole
CID 525778
2-Butyl-5-methyl-4-propyloxazole
CID 525779
2-Hexyl-4,5-dimethyloxazole
CID 525781
5-Ethyl-2-hexyl-4-methyloxazole
CID 525782

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-pentyl-1,3-oxazole?
The IUPAC name of 5-ethyl-4-methyl-2-pentyl-1,3-oxazole (CID 525788) is 5-ethyl-4-methyl-2-pentyl-1,3-oxazole.
What is the SMILES notation for 5-ethyl-4-methyl-2-pentyl-1,3-oxazole?
The canonical SMILES for 5-ethyl-4-methyl-2-pentyl-1,3-oxazole is CCCCCc1nc(C)c(CC)o1.
What is the InChIKey of 5-ethyl-4-methyl-2-pentyl-1,3-oxazole?
The InChIKey is CJVUTPBIHCDRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3.
What are the key properties of 5-ethyl-4-methyl-2-pentyl-1,3-oxazole?
5-ethyl-4-methyl-2-pentyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-pentyl-1,3-oxazole is sourced from PubChem (CID 525788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).