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

C17H30BrNO2 — CID 146378252

IUPAC2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
SMILESCCCCCCCC(C)(CCCC)c1nc(Br)oc1OC
InChIInChI=1S/C17H30BrNO2/c1-5-7-9-10-11-13-17(3,12-8-6-2)14-15(20-4)21-16(18)19-14/h5-13H2,1-4H3
InChIKeyBNVLJNWBNDDOCQ-UHFFFAOYSA-N
MW360.34 g/mol
LogP6.25
Rot. Bonds11

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

2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole (PubChem CID 146378252) has the molecular formula C17H30BrNO2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
PubChem CID146378252
Molecular FormulaC17H30BrNO2
Molecular Weight360.34 g/mol
Exact Mass359.15
IUPAC Name2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
SMILESCCCCCCCC(C)(CCCC)c1nc(Br)oc1OC
InChIInChI=1S/C17H30BrNO2/c1-5-7-9-10-11-13-17(3,12-8-6-2)14-15(20-4)21-16(18)19-14/h5-13H2,1-4H3
InChIKeyBNVLJNWBNDDOCQ-UHFFFAOYSA-N
XLogP6.25
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 56.25
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-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
CID 146379321
5-bromo-3-methoxy-1-methyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146379474
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
CID 146379375
5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
CID 146376749
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379588
2-bromo-4-iodo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379768
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole (CID 146378252) is 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole is CCCCCCCC(C)(CCCC)c1nc(Br)oc1OC.
What is the InChIKey of 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The InChIKey is BNVLJNWBNDDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO2/c1-5-7-9-10-11-13-17(3,12-8-6-2)14-15(20-4)21-16(18)19-14/h5-13H2,1-4H3.
What are the key properties of 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole has a molecular weight of 360.34 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole is sourced from PubChem (CID 146378252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).