3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole

C14H17NO3 — CID 142367471

IUPAC3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
SMILESc1ccc(OCCCOCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3/c1-2-5-14(6-3-1)17-10-4-9-16-11-7-13-8-12-18-15-13/h1-3,5-6,8,12H,4,7,9-11H2
InChIKeyOKFMKHKAGLVKRG-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.70
Rot. Bonds8

About 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole

3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole (PubChem CID 142367471) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
PubChem CID142367471
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
SMILESc1ccc(OCCCOCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3/c1-2-5-14(6-3-1)17-10-4-9-16-11-7-13-8-12-18-15-13/h1-3,5-6,8,12H,4,7,9-11H2
InChIKeyOKFMKHKAGLVKRG-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-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole (CID 142367471) is 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole is c1ccc(OCCCOCCc2ccon2)cc1.
What is the InChIKey of 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
The InChIKey is OKFMKHKAGLVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-5-14(6-3-1)17-10-4-9-16-11-7-13-8-12-18-15-13/h1-3,5-6,8,12H,4,7,9-11H2.
What are the key properties of 3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole?
3-[2-(3-phenoxypropoxy)ethyl]-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-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole is sourced from PubChem (CID 142367471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).