4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole

C16H27BrClNO — CID 146379375

IUPAC4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
SMILESCCCCCCC(C)(CCCCC)c1oc(Cl)nc1Br
InChIInChI=1S/C16H27BrClNO/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)19-15(18)20-13/h4-12H2,1-3H3
InChIKeyIZACJFGGECDGAL-UHFFFAOYSA-N
MW364.76 g/mol
LogP6.90
Rot. Bonds10

About 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole

4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole (PubChem CID 146379375) has the molecular formula C16H27BrClNO and a molecular weight of 364.76 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
PubChem CID146379375
Molecular FormulaC16H27BrClNO
Molecular Weight364.76 g/mol
Exact Mass363.10
IUPAC Name4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
SMILESCCCCCCC(C)(CCCCC)c1oc(Cl)nc1Br
InChIInChI=1S/C16H27BrClNO/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)19-15(18)20-13/h4-12H2,1-3H3
InChIKeyIZACJFGGECDGAL-UHFFFAOYSA-N
XLogP6.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.76
LogP ≤ 56.90
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

2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379588
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
2-bromo-4-iodo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379768
4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
CID 146379321
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
3,4,5-tribromo-1-(5-methyldodecan-5-yl)pyrazole
CID 146378900
9-bromo-9-methylhenicosane
CID 155906452
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
3-chloro-4-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377759
5-chloro-1-methyl-4-(6-methyldodecan-6-yl)triazole
CID 146377942

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole?
The IUPAC name of 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole (CID 146379375) is 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole is CCCCCCC(C)(CCCCC)c1oc(Cl)nc1Br.
What is the InChIKey of 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole?
The InChIKey is IZACJFGGECDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrClNO/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)19-15(18)20-13/h4-12H2,1-3H3.
What are the key properties of 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole?
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole has a molecular weight of 364.76 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole is sourced from PubChem (CID 146379375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).