5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole

C12H19BrFNO — CID 146378755

IUPAC5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1nc(F)oc1Br
InChIInChI=1S/C12H19BrFNO/c1-4-6-8-12(3,7-5-2)9-10(13)16-11(14)15-9/h4-8H2,1-3H3
InChIKeyQDQKTWSJRLKDJC-UHFFFAOYSA-N
MW292.19 g/mol
LogP4.82
Rot. Bonds6

About 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole

5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole (PubChem CID 146378755) has the molecular formula C12H19BrFNO and a molecular weight of 292.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
PubChem CID146378755
Molecular FormulaC12H19BrFNO
Molecular Weight292.19 g/mol
Exact Mass291.06
IUPAC Name5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1nc(F)oc1Br
InChIInChI=1S/C12H19BrFNO/c1-4-6-8-12(3,7-5-2)9-10(13)16-11(14)15-9/h4-8H2,1-3H3
InChIKeyQDQKTWSJRLKDJC-UHFFFAOYSA-N
XLogP4.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378496
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
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-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378751
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
CID 146379375
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The IUPAC name of 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole (CID 146378755) is 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The canonical SMILES for 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole is CCCCC(C)(CCC)c1nc(F)oc1Br.
What is the InChIKey of 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The InChIKey is QDQKTWSJRLKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrFNO/c1-4-6-8-12(3,7-5-2)9-10(13)16-11(14)15-9/h4-8H2,1-3H3.
What are the key properties of 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole has a molecular weight of 292.19 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole is sourced from PubChem (CID 146378755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).