3-(3-phenylpropoxy)-1,2-oxazole

C12H13NO2 — CID 175279668

IUPAC3-(3-phenylpropoxy)-1,2-oxazole
SMILESc1ccc(CCCOc2ccon2)cc1
InChIInChI=1S/C12H13NO2/c1-2-5-11(6-3-1)7-4-9-14-12-8-10-15-13-12/h1-3,5-6,8,10H,4,7,9H2
InChIKeyDCOKEFJTWDXSMT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.69
Rot. Bonds5

About 3-(3-phenylpropoxy)-1,2-oxazole

3-(3-phenylpropoxy)-1,2-oxazole (PubChem CID 175279668) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(3-phenylpropoxy)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-phenylpropoxy)-1,2-oxazole
PubChem CID175279668
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(3-phenylpropoxy)-1,2-oxazole
SMILESc1ccc(CCCOc2ccon2)cc1
InChIInChI=1S/C12H13NO2/c1-2-5-11(6-3-1)7-4-9-14-12-8-10-15-13-12/h1-3,5-6,8,10H,4,7,9H2
InChIKeyDCOKEFJTWDXSMT-UHFFFAOYSA-N
XLogP2.69
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.69
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

N-(1,2-oxazol-3-ylmethyl)-3-phenylpropan-1-amine
CID 81170977
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine
CID 80931328
2-(1,2-oxazol-3-yloxy)acetaldehyde
CID 135376200
5-(3-phenylpropoxy)pyridine-2-carbonitrile
CID 113320705
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropoxy)-1,2-oxazole?
The IUPAC name of 3-(3-phenylpropoxy)-1,2-oxazole (CID 175279668) is 3-(3-phenylpropoxy)-1,2-oxazole.
What is the SMILES notation for 3-(3-phenylpropoxy)-1,2-oxazole?
The canonical SMILES for 3-(3-phenylpropoxy)-1,2-oxazole is c1ccc(CCCOc2ccon2)cc1.
What is the InChIKey of 3-(3-phenylpropoxy)-1,2-oxazole?
The InChIKey is DCOKEFJTWDXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-5-11(6-3-1)7-4-9-14-12-8-10-15-13-12/h1-3,5-6,8,10H,4,7,9H2.
What are the key properties of 3-(3-phenylpropoxy)-1,2-oxazole?
3-(3-phenylpropoxy)-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropoxy)-1,2-oxazole is sourced from PubChem (CID 175279668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).