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

C18H29NO3 — CID 142368718

IUPACethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole
SMILESCC.CC.c1ccc(OCCOCCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3.2C2H6/c1-2-6-14(7-3-1)17-12-11-16-9-4-5-13-8-10-18-15-13;2*1-2/h1-3,6-8,10H,4-5,9,11-12H2;2*1-2H3
InChIKeyAAXVPVAUQMMGNV-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.76
Rot. Bonds8

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

ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole (PubChem CID 142368718) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole
PubChem CID142368718
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nameethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole
SMILESCC.CC.c1ccc(OCCOCCCc2ccon2)cc1
InChIInChI=1S/C14H17NO3.2C2H6/c1-2-6-14(7-3-1)17-12-11-16-9-4-5-13-8-10-18-15-13;2*1-2/h1-3,6-8,10H,4-5,9,11-12H2;2*1-2H3
InChIKeyAAXVPVAUQMMGNV-UHFFFAOYSA-N
XLogP4.76
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.76
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 ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
The IUPAC name of ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole (CID 142368718) is ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole is CC.CC.c1ccc(OCCOCCCc2ccon2)cc1.
What is the InChIKey of ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
The InChIKey is AAXVPVAUQMMGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3.2C2H6/c1-2-6-14(7-3-1)17-12-11-16-9-4-5-13-8-10-18-15-13;2*1-2/h1-3,6-8,10H,4-5,9,11-12H2;2*1-2H3.
What are the key properties of ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole?
ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole has a molecular weight of 307.43 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(2-phenoxyethoxy)propyl]-1,2-oxazole is sourced from PubChem (CID 142368718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).