7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole

C11H12FNO2 — CID 122497548

IUPAC7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole
SMILESCOc1ccc2nc(C(C)C)oc2c1F
InChIInChI=1S/C11H12FNO2/c1-6(2)11-13-7-4-5-8(14-3)9(12)10(7)15-11/h4-6H,1-3H3
InChIKeyKYGVGTRZZLBDAQ-UHFFFAOYSA-N
MW209.22 g/mol
LogP3.10
Rot. Bonds2

About 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole

7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole (PubChem CID 122497548) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole
PubChem CID122497548
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole
SMILESCOc1ccc2nc(C(C)C)oc2c1F
InChIInChI=1S/C11H12FNO2/c1-6(2)11-13-7-4-5-8(14-3)9(12)10(7)15-11/h4-6H,1-3H3
InChIKeyKYGVGTRZZLBDAQ-UHFFFAOYSA-N
XLogP3.10
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole (CID 122497548) is 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole is COc1ccc2nc(C(C)C)oc2c1F.
What is the InChIKey of 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is KYGVGTRZZLBDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-6(2)11-13-7-4-5-8(14-3)9(12)10(7)15-11/h4-6H,1-3H3.
What are the key properties of 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole?
7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 209.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 122497548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).