5-(2-butoxyphenyl)-1,2-oxazole

C13H15NO2 — CID 11183547

IUPAC5-(2-butoxyphenyl)-1,2-oxazole
SMILESCCCCOc1ccccc1-c1ccno1
InChIInChI=1S/C13H15NO2/c1-2-3-10-15-12-7-5-4-6-11(12)13-8-9-14-16-13/h4-9H,2-3,10H2,1H3
InChIKeyGCLVZVSTRWZGFK-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.52
Rot. Bonds5

About 5-(2-butoxyphenyl)-1,2-oxazole

5-(2-butoxyphenyl)-1,2-oxazole (PubChem CID 11183547) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2-butoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-butoxyphenyl)-1,2-oxazole
PubChem CID11183547
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(2-butoxyphenyl)-1,2-oxazole
SMILESCCCCOc1ccccc1-c1ccno1
InChIInChI=1S/C13H15NO2/c1-2-3-10-15-12-7-5-4-6-11(12)13-8-9-14-16-13/h4-9H,2-3,10H2,1H3
InChIKeyGCLVZVSTRWZGFK-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-(5-Isoxazolyl)phenol
CID 578506
5-(4-Methoxyphenyl)isoxazole
CID 2736756
5-(4-Butoxyphenyl)-1,2-oxazole
CID 10353296
Methyl 4-(5-phenyl-4-isoxazolyl)phenyl ether
CID 11311281
(E)-3-fluoro-2-[[4-(4-methyl-1,2-oxazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512240
(Z)-3-fluoro-2-[[4-(4-methyl-1,2-oxazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369032
4-Fluoro-2-(5-isoxazolyl)phenol
CID 2758985
2-(5-Isoxazolyl)-4-methylphenol
CID 3356746
Ethyl [2-(5-isoxazolyl)phenoxy]acetate
CID 902453
5-(3-Butoxy-phenyl)-isoxazole
CID 11160258
5-(4-Butoxy-phenyl)-4-methyl-isoxazole
CID 11322201
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,2-oxazole
CID 44343236

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(2-butoxyphenyl)-1,2-oxazole (CID 11183547) is 5-(2-butoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-butoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(2-butoxyphenyl)-1,2-oxazole is CCCCOc1ccccc1-c1ccno1.
What is the InChIKey of 5-(2-butoxyphenyl)-1,2-oxazole?
The InChIKey is GCLVZVSTRWZGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-10-15-12-7-5-4-6-11(12)13-8-9-14-16-13/h4-9H,2-3,10H2,1H3.
What are the key properties of 5-(2-butoxyphenyl)-1,2-oxazole?
5-(2-butoxyphenyl)-1,2-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 5-(2-butoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 11183547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).