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

C15H21NO2 — CID 142390711

IUPAC3-(3-phenoxypropyl)-1,2-oxazole;propane
SMILESCCC.c1ccc(OCCCc2ccon2)cc1
InChIInChI=1S/C12H13NO2.C3H8/c1-2-6-12(7-3-1)14-9-4-5-11-8-10-15-13-11;1-3-2/h1-3,6-8,10H,4-5,9H2;3H2,1-2H3
InChIKeyUBGDIPCWMWZZBD-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.10
Rot. Bonds5

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

3-(3-phenoxypropyl)-1,2-oxazole;propane (PubChem CID 142390711) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-phenoxypropyl)-1,2-oxazole;propane.

Molecular Properties

Compound Name3-(3-phenoxypropyl)-1,2-oxazole;propane
PubChem CID142390711
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(3-phenoxypropyl)-1,2-oxazole;propane
SMILESCCC.c1ccc(OCCCc2ccon2)cc1
InChIInChI=1S/C12H13NO2.C3H8/c1-2-6-12(7-3-1)14-9-4-5-11-8-10-15-13-11;1-3-2/h1-3,6-8,10H,4-5,9H2;3H2,1-2H3
InChIKeyUBGDIPCWMWZZBD-UHFFFAOYSA-N
XLogP4.10
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.10
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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Related Compounds

ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
CID 139356742
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
CID 134579533
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
5-methyl-3-[3-(4-phenoxybutoxy)propyl]-1,2-oxazole
CID 155013205
2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687
3-(3-phenylpropoxy)-1,2-oxazole
CID 175279668
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropyl)-1,2-oxazole;propane?
The IUPAC name of 3-(3-phenoxypropyl)-1,2-oxazole;propane (CID 142390711) is 3-(3-phenoxypropyl)-1,2-oxazole;propane.
What is the SMILES notation for 3-(3-phenoxypropyl)-1,2-oxazole;propane?
The canonical SMILES for 3-(3-phenoxypropyl)-1,2-oxazole;propane is CCC.c1ccc(OCCCc2ccon2)cc1.
What is the InChIKey of 3-(3-phenoxypropyl)-1,2-oxazole;propane?
The InChIKey is UBGDIPCWMWZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C3H8/c1-2-6-12(7-3-1)14-9-4-5-11-8-10-15-13-11;1-3-2/h1-3,6-8,10H,4-5,9H2;3H2,1-2H3.
What are the key properties of 3-(3-phenoxypropyl)-1,2-oxazole;propane?
3-(3-phenoxypropyl)-1,2-oxazole;propane has a molecular weight of 247.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropyl)-1,2-oxazole;propane is sourced from PubChem (CID 142390711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).