5-fluoro-7-propan-2-yl-1,3-benzoxazole

C10H10FNO — CID 178038832

IUPAC5-fluoro-7-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1cc(F)cc2ncoc12
InChIInChI=1S/C10H10FNO/c1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-6H,1-2H3
InChIKeyXTTIPWGLLZVHBK-UHFFFAOYSA-N
MW179.19 g/mol
LogP3.09
Rot. Bonds1

About 5-fluoro-7-propan-2-yl-1,3-benzoxazole

5-fluoro-7-propan-2-yl-1,3-benzoxazole (PubChem CID 178038832) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-fluoro-7-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-7-propan-2-yl-1,3-benzoxazole
PubChem CID178038832
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-fluoro-7-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1cc(F)cc2ncoc12
InChIInChI=1S/C10H10FNO/c1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-6H,1-2H3
InChIKeyXTTIPWGLLZVHBK-UHFFFAOYSA-N
XLogP3.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 5-fluoro-7-propan-2-yl-1,3-benzoxazole (CID 178038832) is 5-fluoro-7-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-7-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-7-propan-2-yl-1,3-benzoxazole is CC(C)c1cc(F)cc2ncoc12.
What is the InChIKey of 5-fluoro-7-propan-2-yl-1,3-benzoxazole?
The InChIKey is XTTIPWGLLZVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-6H,1-2H3.
What are the key properties of 5-fluoro-7-propan-2-yl-1,3-benzoxazole?
5-fluoro-7-propan-2-yl-1,3-benzoxazole has a molecular weight of 179.19 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 178038832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).