2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole

C23H29NO2 — CID 134958956

IUPAC2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole
SMILESCCCCCC1C=C(COCc2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C23H29NO2/c1-2-3-6-15-22-16-23(19-25-18-21-13-9-5-10-14-21)26-24(22)17-20-11-7-4-8-12-20/h4-5,7-14,16,22H,2-3,6,15,17-19H2,1H3
InChIKeyZEYWDGPKMRXTMV-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.48
Rot. Bonds10

About 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole

2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole (PubChem CID 134958956) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole
PubChem CID134958956
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole
SMILESCCCCCC1C=C(COCc2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C23H29NO2/c1-2-3-6-15-22-16-23(19-25-18-21-13-9-5-10-14-21)26-24(22)17-20-11-7-4-8-12-20/h4-5,7-14,16,22H,2-3,6,15,17-19H2,1H3
InChIKeyZEYWDGPKMRXTMV-UHFFFAOYSA-N
XLogP5.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole (CID 134958956) is 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole is CCCCCC1C=C(COCc2ccccc2)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole?
The InChIKey is ZEYWDGPKMRXTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-3-6-15-22-16-23(19-25-18-21-13-9-5-10-14-21)26-24(22)17-20-11-7-4-8-12-20/h4-5,7-14,16,22H,2-3,6,15,17-19H2,1H3.
What are the key properties of 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole?
2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole has a molecular weight of 351.49 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-pentyl-5-(phenylmethoxymethyl)-3H-1,2-oxazole is sourced from PubChem (CID 134958956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).