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

C12H20FNO — CID 146378583

IUPAC2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1coc(F)n1
InChIInChI=1S/C12H20FNO/c1-4-6-8-12(3,7-5-2)10-9-15-11(13)14-10/h9H,4-8H2,1-3H3
InChIKeyHXWHXNPBBGAZOO-UHFFFAOYSA-N
MW213.30 g/mol
LogP4.06
Rot. Bonds6

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

2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole (PubChem CID 146378583) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
PubChem CID146378583
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1coc(F)n1
InChIInChI=1S/C12H20FNO/c1-4-6-8-12(3,7-5-2)10-9-15-11(13)14-10/h9H,4-8H2,1-3H3
InChIKeyHXWHXNPBBGAZOO-UHFFFAOYSA-N
XLogP4.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The IUPAC name of 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole (CID 146378583) is 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The canonical SMILES for 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole is CCCCC(C)(CCC)c1coc(F)n1.
What is the InChIKey of 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The InChIKey is HXWHXNPBBGAZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-4-6-8-12(3,7-5-2)10-9-15-11(13)14-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole?
2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole has a molecular weight of 213.30 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole is sourced from PubChem (CID 146378583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).