2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole

C14H19NO — CID 127032080

IUPAC2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-12-6-8-13(9-7-12)14-15-10-11-16-14/h6-9H,2-5,10-11H2,1H3
InChIKeyQATYFJYGFLINLA-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole

2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 127032080) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID127032080
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-12-6-8-13(9-7-12)14-15-10-11-16-14/h6-9H,2-5,10-11H2,1H3
InChIKeyQATYFJYGFLINLA-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.20
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 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole (CID 127032080) is 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QATYFJYGFLINLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-12-6-8-13(9-7-12)14-15-10-11-16-14/h6-9H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 127032080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).