2-(4-butoxyphenyl)-1,3-oxazole

C13H15NO2 — CID 69161830

IUPAC2-(4-butoxyphenyl)-1,3-oxazole
SMILESCCCCOc1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-11(5-7-12)13-14-8-10-16-13/h4-8,10H,2-3,9H2,1H3
InChIKeyFMVFXLMVSQPBLP-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-butoxyphenyl)-1,3-oxazole

2-(4-butoxyphenyl)-1,3-oxazole (PubChem CID 69161830) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-1,3-oxazole
PubChem CID69161830
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(4-butoxyphenyl)-1,3-oxazole
SMILESCCCCOc1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-11(5-7-12)13-14-8-10-16-13/h4-8,10H,2-3,9H2,1H3
InChIKeyFMVFXLMVSQPBLP-UHFFFAOYSA-N
XLogP3.52
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.52
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

2-(4-heptylphenyl)-1,3-oxazole
CID 59546194
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 11779218
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-(4-butoxyphenyl)pyrazine
CID 11345209
5-(4-butoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572237
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-butoxyphenyl)-1,3-oxazole (CID 69161830) is 2-(4-butoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-butoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-butoxyphenyl)-1,3-oxazole is CCCCOc1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-1,3-oxazole?
The InChIKey is FMVFXLMVSQPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-9-15-12-6-4-11(5-7-12)13-14-8-10-16-13/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-1,3-oxazole?
2-(4-butoxyphenyl)-1,3-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 69161830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).