ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate

C24H29NO5 — CID 67599635

IUPACethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1ON=C(OCCCCCc2ccccc2)C1(OC)c1ccccc1
InChIInChI=1S/C24H29NO5/c1-3-28-22(26)21-24(27-2,20-16-10-5-11-17-20)23(25-30-21)29-18-12-6-9-15-19-13-7-4-8-14-19/h4-5,7-8,10-11,13-14,16-17,21H,3,6,9,12,15,18H2,1-2H3
InChIKeyFUTREDGPPPTOLG-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.23
Rot. Bonds10

About ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate

ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate (PubChem CID 67599635) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate
PubChem CID67599635
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Nameethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1ON=C(OCCCCCc2ccccc2)C1(OC)c1ccccc1
InChIInChI=1S/C24H29NO5/c1-3-28-22(26)21-24(27-2,20-16-10-5-11-17-20)23(25-30-21)29-18-12-6-9-15-19-13-7-4-8-14-19/h4-5,7-8,10-11,13-14,16-17,21H,3,6,9,12,15,18H2,1-2H3
InChIKeyFUTREDGPPPTOLG-UHFFFAOYSA-N
XLogP4.23
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate (CID 67599635) is ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate is CCOC(=O)C1ON=C(OCCCCCc2ccccc2)C1(OC)c1ccccc1.
What is the InChIKey of ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate?
The InChIKey is FUTREDGPPPTOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-3-28-22(26)21-24(27-2,20-16-10-5-11-17-20)23(25-30-21)29-18-12-6-9-15-19-13-7-4-8-14-19/h4-5,7-8,10-11,13-14,16-17,21H,3,6,9,12,15,18H2,1-2H3.
What are the key properties of ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate?
ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-4-phenyl-3-(5-phenylpentoxy)-5H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67599635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).