ethane;3-(3-phenoxypropyl)-1,2-oxazole

C16H25NO2 — CID 142367927

IUPACethane;3-(3-phenoxypropyl)-1,2-oxazole
SMILESCC.CC.c1ccc(OCCCc2ccon2)cc1
InChIInChI=1S/C12H13NO2.2C2H6/c1-2-6-12(7-3-1)14-9-4-5-11-8-10-15-13-11;2*1-2/h1-3,6-8,10H,4-5,9H2;2*1-2H3
InChIKeyBDUJQANYIFJLNU-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.74
Rot. Bonds5

About ethane;3-(3-phenoxypropyl)-1,2-oxazole

ethane;3-(3-phenoxypropyl)-1,2-oxazole (PubChem CID 142367927) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;3-(3-phenoxypropyl)-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-(3-phenoxypropyl)-1,2-oxazole
PubChem CID142367927
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethane;3-(3-phenoxypropyl)-1,2-oxazole
SMILESCC.CC.c1ccc(OCCCc2ccon2)cc1
InChIInChI=1S/C12H13NO2.2C2H6/c1-2-6-12(7-3-1)14-9-4-5-11-8-10-15-13-11;2*1-2/h1-3,6-8,10H,4-5,9H2;2*1-2H3
InChIKeyBDUJQANYIFJLNU-UHFFFAOYSA-N
XLogP4.74
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.74
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 ethane;3-(3-phenoxypropyl)-1,2-oxazole?
The IUPAC name of ethane;3-(3-phenoxypropyl)-1,2-oxazole (CID 142367927) is ethane;3-(3-phenoxypropyl)-1,2-oxazole.
What is the SMILES notation for ethane;3-(3-phenoxypropyl)-1,2-oxazole?
The canonical SMILES for ethane;3-(3-phenoxypropyl)-1,2-oxazole is CC.CC.c1ccc(OCCCc2ccon2)cc1.
What is the InChIKey of ethane;3-(3-phenoxypropyl)-1,2-oxazole?
The InChIKey is BDUJQANYIFJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.2C2H6/c1-2-6-12(7-3-1)14-9-4-5-11-8-10-15-13-11;2*1-2/h1-3,6-8,10H,4-5,9H2;2*1-2H3.
What are the key properties of ethane;3-(3-phenoxypropyl)-1,2-oxazole?
ethane;3-(3-phenoxypropyl)-1,2-oxazole has a molecular weight of 263.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-phenoxypropyl)-1,2-oxazole is sourced from PubChem (CID 142367927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).