dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole

C17H30BNO — CID 123546571

IUPACdimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole
SMILESCB(C)c1ccccc1.CC.CC.CCc1ncco1
InChIInChI=1S/C8H11B.C5H7NO.2C2H6/c1-9(2)8-6-4-3-5-7-8;1-2-5-6-3-4-7-5;2*1-2/h3-7H,1-2H3;3-4H,2H2,1H3;2*1-2H3
InChIKeyPAAYVNRHOCPMIM-UHFFFAOYSA-N
MW275.25 g/mol
LogP4.94
Rot. Bonds2

About dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole

dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole (PubChem CID 123546571) has the molecular formula C17H30BNO and a molecular weight of 275.25 g/mol. Its IUPAC name is dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole.

Molecular Properties

Compound Namedimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole
PubChem CID123546571
Molecular FormulaC17H30BNO
Molecular Weight275.25 g/mol
Exact Mass275.24
IUPAC Namedimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole
SMILESCB(C)c1ccccc1.CC.CC.CCc1ncco1
InChIInChI=1S/C8H11B.C5H7NO.2C2H6/c1-9(2)8-6-4-3-5-7-8;1-2-5-6-3-4-7-5;2*1-2/h3-7H,1-2H3;3-4H,2H2,1H3;2*1-2H3
InChIKeyPAAYVNRHOCPMIM-UHFFFAOYSA-N
XLogP4.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
ethane;2-methyl-1,3-oxazole;toluene
CID 91542594
dimethyl-[4-(2-phenoxyethoxy)phenyl]borane
CID 58429994
ethane;2-ethylpyridine
CID 91102000
2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
CID 82481392
ethane;2-ethylpyridine;methane
CID 142439308
3-(1,3-oxazol-2-yl)propan-1-ol;quinoline
CID 175325233
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
(2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride
CID 23076591
2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726
4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid
CID 167283900
2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 53495028

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole?
The IUPAC name of dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole (CID 123546571) is dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole.
What is the SMILES notation for dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole?
The canonical SMILES for dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole is CB(C)c1ccccc1.CC.CC.CCc1ncco1.
What is the InChIKey of dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole?
The InChIKey is PAAYVNRHOCPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11B.C5H7NO.2C2H6/c1-9(2)8-6-4-3-5-7-8;1-2-5-6-3-4-7-5;2*1-2/h3-7H,1-2H3;3-4H,2H2,1H3;2*1-2H3.
What are the key properties of dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole?
dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole has a molecular weight of 275.25 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)borane;ethane;2-ethyl-1,3-oxazole is sourced from PubChem (CID 123546571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).