4-butyl-3-phenyl-1,2-oxazole

C13H15NO — CID 20616768

IUPAC4-butyl-3-phenyl-1,2-oxazole
SMILESCCCCc1conc1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-7-12-10-15-14-13(12)11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3
InChIKeyFIINDFHAPJZOTM-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.68
Rot. Bonds4

About 4-butyl-3-phenyl-1,2-oxazole

4-butyl-3-phenyl-1,2-oxazole (PubChem CID 20616768) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-butyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-butyl-3-phenyl-1,2-oxazole
PubChem CID20616768
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-butyl-3-phenyl-1,2-oxazole
SMILESCCCCc1conc1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-7-12-10-15-14-13(12)11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3
InChIKeyFIINDFHAPJZOTM-UHFFFAOYSA-N
XLogP3.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
5-Methyl-3-phenylisoxazole-4-carboxylic acid
CID 14343
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
3-Methyl-5-phenylisoxazole
CID 136804
Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 727920
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
5-Amino-3-phenylisoxazole
CID 261201
5-Methyl-3-phenylisoxazole-4-carbonyl chloride
CID 85624
3-(4-Methylphenyl)-1,2-oxazol-5-amine
CID 576446
3-Phenylisoxazole
CID 136798
5-Methyl-3-phenyl-1,2-oxazole
CID 136803

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-butyl-3-phenyl-1,2-oxazole (CID 20616768) is 4-butyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-butyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-butyl-3-phenyl-1,2-oxazole is CCCCc1conc1-c1ccccc1.
What is the InChIKey of 4-butyl-3-phenyl-1,2-oxazole?
The InChIKey is FIINDFHAPJZOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-7-12-10-15-14-13(12)11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 4-butyl-3-phenyl-1,2-oxazole?
4-butyl-3-phenyl-1,2-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 20616768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).