5-fluoro-2-propyl-1,3-benzoxazole

C10H10FNO — CID 82229772

IUPAC5-fluoro-2-propyl-1,3-benzoxazole
SMILESCCCc1nc2cc(F)ccc2o1
InChIInChI=1S/C10H10FNO/c1-2-3-10-12-8-6-7(11)4-5-9(8)13-10/h4-6H,2-3H2,1H3
InChIKeyVGKYMINLEICRFO-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.92
Rot. Bonds2

About 5-fluoro-2-propyl-1,3-benzoxazole

5-fluoro-2-propyl-1,3-benzoxazole (PubChem CID 82229772) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-fluoro-2-propyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-propyl-1,3-benzoxazole
PubChem CID82229772
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-fluoro-2-propyl-1,3-benzoxazole
SMILESCCCc1nc2cc(F)ccc2o1
InChIInChI=1S/C10H10FNO/c1-2-3-10-12-8-6-7(11)4-5-9(8)13-10/h4-6H,2-3H2,1H3
InChIKeyVGKYMINLEICRFO-UHFFFAOYSA-N
XLogP2.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propyl-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-propyl-1,3-benzoxazole (CID 82229772) is 5-fluoro-2-propyl-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-propyl-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-propyl-1,3-benzoxazole is CCCc1nc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-2-propyl-1,3-benzoxazole?
The InChIKey is VGKYMINLEICRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-3-10-12-8-6-7(11)4-5-9(8)13-10/h4-6H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-propyl-1,3-benzoxazole?
5-fluoro-2-propyl-1,3-benzoxazole has a molecular weight of 179.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propyl-1,3-benzoxazole is sourced from PubChem (CID 82229772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).