(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate

C11H10FNO4 — CID 169162821

IUPAC(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate
SMILESCOc1cc(F)c2oc(COC(C)=O)nc2c1
InChIInChI=1S/C11H10FNO4/c1-6(14)16-5-10-13-9-4-7(15-2)3-8(12)11(9)17-10/h3-4H,5H2,1-2H3
InChIKeyWXRMGEIQVZMNRL-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.04
Rot. Bonds3

About (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate

(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate (PubChem CID 169162821) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate.

Molecular Properties

Compound Name(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate
PubChem CID169162821
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate
SMILESCOc1cc(F)c2oc(COC(C)=O)nc2c1
InChIInChI=1S/C11H10FNO4/c1-6(14)16-5-10-13-9-4-7(15-2)3-8(12)11(9)17-10/h3-4H,5H2,1-2H3
InChIKeyWXRMGEIQVZMNRL-UHFFFAOYSA-N
XLogP2.04
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate?
The IUPAC name of (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate (CID 169162821) is (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate.
What is the SMILES notation for (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate?
The canonical SMILES for (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate is COc1cc(F)c2oc(COC(C)=O)nc2c1.
What is the InChIKey of (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate?
The InChIKey is WXRMGEIQVZMNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-6(14)16-5-10-13-9-4-7(15-2)3-8(12)11(9)17-10/h3-4H,5H2,1-2H3.
What are the key properties of (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate?
(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate has a molecular weight of 239.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate is sourced from PubChem (CID 169162821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).