4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole

C15H20FNO — CID 144503877

IUPAC4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole
SMILESCCC(CCC(C)C)c1nc2c(F)cccc2o1
InChIInChI=1S/C15H20FNO/c1-4-11(9-8-10(2)3)15-17-14-12(16)6-5-7-13(14)18-15/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyGHGYMUYWBPYYDP-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.90
Rot. Bonds5

About 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole

4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole (PubChem CID 144503877) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole
PubChem CID144503877
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole
SMILESCCC(CCC(C)C)c1nc2c(F)cccc2o1
InChIInChI=1S/C15H20FNO/c1-4-11(9-8-10(2)3)15-17-14-12(16)6-5-7-13(14)18-15/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyGHGYMUYWBPYYDP-UHFFFAOYSA-N
XLogP4.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274
5-methyl-2-(6-methylheptan-3-yl)-1,3-benzoxazole
CID 144503892
3-(4-fluoro-1,3-benzoxazol-2-yl)-4-oxo-4-sulfanylbutanoic acid
CID 57009093
2-(difluoromethyl)-4-ethyl-1,3-benzoxazole
CID 118854235
(2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]-4-methylpentanoic acid
CID 122049252
2-butan-2-yl-1,3-benzoxazole-4-carboxylic acid
CID 81358885
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol
CID 71141888
2-but-3-ynyl-4-fluoro-1,3-benzoxazole
CID 86086786
4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 100690013
3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol
CID 61230082

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole?
The IUPAC name of 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole (CID 144503877) is 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole is CCC(CCC(C)C)c1nc2c(F)cccc2o1.
What is the InChIKey of 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole?
The InChIKey is GHGYMUYWBPYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-4-11(9-8-10(2)3)15-17-14-12(16)6-5-7-13(14)18-15/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole?
4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole has a molecular weight of 249.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 144503877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).