2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole

C17H30INO — CID 146378264

IUPAC2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
SMILESCCCCCCCC(C)(CCCC)c1nc(I)oc1C
InChIInChI=1S/C17H30INO/c1-5-7-9-10-11-13-17(4,12-8-6-2)15-14(3)20-16(18)19-15/h5-13H2,1-4H3
InChIKeyASAZWOKDOXEXCN-UHFFFAOYSA-N
MW391.34 g/mol
LogP6.40
Rot. Bonds10

About 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole

2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole (PubChem CID 146378264) has the molecular formula C17H30INO and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
PubChem CID146378264
Molecular FormulaC17H30INO
Molecular Weight391.34 g/mol
Exact Mass391.14
IUPAC Name2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
SMILESCCCCCCCC(C)(CCCC)c1nc(I)oc1C
InChIInChI=1S/C17H30INO/c1-5-7-9-10-11-13-17(4,12-8-6-2)15-14(3)20-16(18)19-15/h5-13H2,1-4H3
InChIKeyASAZWOKDOXEXCN-UHFFFAOYSA-N
XLogP6.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
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
5-fluoro-1,4-dimethyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146376862
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
2-bromo-4-iodo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379768
3-iodo-1,5-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146378442
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
2-iodo-2-methylnonane
CID 12714355

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The IUPAC name of 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole (CID 146378264) is 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The canonical SMILES for 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole is CCCCCCCC(C)(CCCC)c1nc(I)oc1C.
What is the InChIKey of 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The InChIKey is ASAZWOKDOXEXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30INO/c1-5-7-9-10-11-13-17(4,12-8-6-2)15-14(3)20-16(18)19-15/h5-13H2,1-4H3.
What are the key properties of 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole?
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole has a molecular weight of 391.34 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole is sourced from PubChem (CID 146378264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).