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

C13H22FNO — CID 146378357

IUPAC5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1nc(C)oc1F
InChIInChI=1S/C13H22FNO/c1-5-7-9-13(4,8-6-2)11-12(14)16-10(3)15-11/h5-9H2,1-4H3
InChIKeyWMSOHNPZJFIPIM-UHFFFAOYSA-N
MW227.32 g/mol
LogP4.37
Rot. Bonds6

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

5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole (PubChem CID 146378357) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole
PubChem CID146378357
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1nc(C)oc1F
InChIInChI=1S/C13H22FNO/c1-5-7-9-13(4,8-6-2)11-12(14)16-10(3)15-11/h5-9H2,1-4H3
InChIKeyWMSOHNPZJFIPIM-UHFFFAOYSA-N
XLogP4.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole?
The IUPAC name of 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole (CID 146378357) is 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole?
The canonical SMILES for 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole is CCCCC(C)(CCC)c1nc(C)oc1F.
What is the InChIKey of 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole?
The InChIKey is WMSOHNPZJFIPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-5-7-9-13(4,8-6-2)11-12(14)16-10(3)15-11/h5-9H2,1-4H3.
What are the key properties of 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole?
5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole has a molecular weight of 227.32 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole is sourced from PubChem (CID 146378357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).