1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one

C21H23NO3 — CID 15445662

IUPAC1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one
SMILESO=C(CCCCc1ccccc1)C1=NOC(COc2ccccc2)C1
InChIInChI=1S/C21H23NO3/c23-21(14-8-7-11-17-9-3-1-4-10-17)20-15-19(25-22-20)16-24-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2
InChIKeyHBXVWDBLJJTXOY-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.19
Rot. Bonds9

About 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one

1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one (PubChem CID 15445662) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one
PubChem CID15445662
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one
SMILESO=C(CCCCc1ccccc1)C1=NOC(COc2ccccc2)C1
InChIInChI=1S/C21H23NO3/c23-21(14-8-7-11-17-9-3-1-4-10-17)20-15-19(25-22-20)16-24-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2
InChIKeyHBXVWDBLJJTXOY-UHFFFAOYSA-N
XLogP4.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one (CID 15445662) is 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one is O=C(CCCCc1ccccc1)C1=NOC(COc2ccccc2)C1.
What is the InChIKey of 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one?
The InChIKey is HBXVWDBLJJTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-21(14-8-7-11-17-9-3-1-4-10-17)20-15-19(25-22-20)16-24-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2.
What are the key properties of 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one?
1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one has a molecular weight of 337.42 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 15445662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).