2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C16H22BrNO — CID 15327816

IUPAC2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCCCc1ccc(C2=NC(C)(C)CO2)c(Br)c1
InChIInChI=1S/C16H22BrNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h8-10H,4-7,11H2,1-3H3
InChIKeyFBTSVFQSKNSKMO-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.74
Rot. Bonds5

About 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 15327816) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID15327816
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCCCc1ccc(C2=NC(C)(C)CO2)c(Br)c1
InChIInChI=1S/C16H22BrNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h8-10H,4-7,11H2,1-3H3
InChIKeyFBTSVFQSKNSKMO-UHFFFAOYSA-N
XLogP4.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
CID 175377299
2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 123499622
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pentylbenzonitrile
CID 13170197
2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14197394
1,2-dibromo-4-hexylbenzene
CID 54422362
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709
2-bromo-7-hexyl-9,9-dimethylfluorene
CID 130398311
2-(2-bromo-5-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14002106
2-(2-fluoro-4-pent-3-ynylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 20625406
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
2-(2-heptan-2-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 10378605
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 15327816) is 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole is CCCCCc1ccc(C2=NC(C)(C)CO2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is FBTSVFQSKNSKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 324.26 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pentylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 15327816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).