5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole

C15H25FINO — CID 146377053

IUPAC5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
SMILESCCCCCCC(C)(CCCC)c1nc(I)c(F)o1
InChIInChI=1S/C15H25FINO/c1-4-6-8-9-11-15(3,10-7-5-2)14-18-13(17)12(16)19-14/h4-11H2,1-3H3
InChIKeyGYLZEELLPLDQDN-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.84
Rot. Bonds9

About 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole

5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole (PubChem CID 146377053) has the molecular formula C15H25FINO and a molecular weight of 381.27 g/mol. Its IUPAC name is 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
PubChem CID146377053
Molecular FormulaC15H25FINO
Molecular Weight381.27 g/mol
Exact Mass381.10
IUPAC Name5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
SMILESCCCCCCC(C)(CCCC)c1nc(I)c(F)o1
InChIInChI=1S/C15H25FINO/c1-4-6-8-9-11-15(3,10-7-5-2)14-18-13(17)12(16)19-14/h4-11H2,1-3H3
InChIKeyGYLZEELLPLDQDN-UHFFFAOYSA-N
XLogP5.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.84
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

2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-bromo-4-iodo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379768
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
3-methyl-5-(7-methyltridecan-7-yl)-1,3,4-oxadiazol-2-one
CID 154968110
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
4-(5-methylundecan-5-yl)pyridine
CID 146178387
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
3-iodo-1,5-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146378442
5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 175618648

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole?
The IUPAC name of 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole (CID 146377053) is 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole.
What is the SMILES notation for 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole?
The canonical SMILES for 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole is CCCCCCC(C)(CCCC)c1nc(I)c(F)o1.
What is the InChIKey of 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole?
The InChIKey is GYLZEELLPLDQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FINO/c1-4-6-8-9-11-15(3,10-7-5-2)14-18-13(17)12(16)19-14/h4-11H2,1-3H3.
What are the key properties of 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole?
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole has a molecular weight of 381.27 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole is sourced from PubChem (CID 146377053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).