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

C10H19NO — CID 19843977

IUPAC4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCC1=NC(CC)CO1
InChIInChI=1S/C10H19NO/c1-3-5-6-7-10-11-9(4-2)8-12-10/h9H,3-8H2,1-2H3
InChIKeyKFMNTRVUNOEXLF-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.77
Rot. Bonds5

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

4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole (PubChem CID 19843977) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole
PubChem CID19843977
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCC1=NC(CC)CO1
InChIInChI=1S/C10H19NO/c1-3-5-6-7-10-11-9(4-2)8-12-10/h9H,3-8H2,1-2H3
InChIKeyKFMNTRVUNOEXLF-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole (CID 19843977) is 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole is CCCCCC1=NC(CC)CO1.
What is the InChIKey of 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole?
The InChIKey is KFMNTRVUNOEXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-7-10-11-9(4-2)8-12-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole?
4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pentyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19843977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).