3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole

C14H17NO3 — CID 142368719

IUPAC3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole
SMILESc1ccc(OCCOCCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3/c1-2-6-14(7-3-1)17-12-11-16-9-4-5-13-8-10-18-15-13/h1-3,6-8,10H,4-5,9,11-12H2
InChIKeyCADDRSGSLPJQRR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.70
Rot. Bonds8

About 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole

3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole (PubChem CID 142368719) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole
PubChem CID142368719
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole
SMILESc1ccc(OCCOCCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3/c1-2-6-14(7-3-1)17-12-11-16-9-4-5-13-8-10-18-15-13/h1-3,6-8,10H,4-5,9,11-12H2
InChIKeyCADDRSGSLPJQRR-UHFFFAOYSA-N
XLogP2.70
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.70
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 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
The IUPAC name of 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole (CID 142368719) is 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
The canonical SMILES for 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole is c1ccc(OCCOCCCc2ccon2)cc1.
What is the InChIKey of 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
The InChIKey is CADDRSGSLPJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-6-14(7-3-1)17-12-11-16-9-4-5-13-8-10-18-15-13/h1-3,6-8,10H,4-5,9,11-12H2.
What are the key properties of 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole has a molecular weight of 247.29 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole is sourced from PubChem (CID 142368719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).