5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one

C8H6FNO2 — CID 15675953

IUPAC5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cc(F)cc2[nH]c(=O)oc12
InChIInChI=1S/C8H6FNO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11)
InChIKeyCZPZAVBWLHEBJM-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.57
Rot. Bonds

About 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one

5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 15675953) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one
PubChem CID15675953
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cc(F)cc2[nH]c(=O)oc12
InChIInChI=1S/C8H6FNO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11)
InChIKeyCZPZAVBWLHEBJM-UHFFFAOYSA-N
XLogP1.57
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one (CID 15675953) is 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one is Cc1cc(F)cc2[nH]c(=O)oc12.
What is the InChIKey of 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is CZPZAVBWLHEBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11).
What are the key properties of 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one?
5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 167.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).