3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one

C10H5ClF2N2O3 — CID 159933905

IUPAC3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one
SMILESFc1ccc2onc(Cl)c2c1.O=c1cc(F)o[nH]1
InChIInChI=1S/C7H3ClFNO.C3H2FNO2/c8-7-5-3-4(9)1-2-6(5)11-10-7;4-2-1-3(6)5-7-2/h1-3H;1H,(H,5,6)
InChIKeyNZZKRAQPBYQVQZ-UHFFFAOYSA-N
MW274.61 g/mol
LogP2.73
Rot. Bonds

About 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one

3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one (PubChem CID 159933905) has the molecular formula C10H5ClF2N2O3 and a molecular weight of 274.61 g/mol. Its IUPAC name is 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one.

Molecular Properties

Compound Name3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one
PubChem CID159933905
Molecular FormulaC10H5ClF2N2O3
Molecular Weight274.61 g/mol
Exact Mass274.00
IUPAC Name3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one
SMILESFc1ccc2onc(Cl)c2c1.O=c1cc(F)o[nH]1
InChIInChI=1S/C7H3ClFNO.C3H2FNO2/c8-7-5-3-4(9)1-2-6(5)11-10-7;4-2-1-3(6)5-7-2/h1-3H;1H,(H,5,6)
InChIKeyNZZKRAQPBYQVQZ-UHFFFAOYSA-N
XLogP2.73
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.61
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one?
The IUPAC name of 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one (CID 159933905) is 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one.
What is the SMILES notation for 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one?
The canonical SMILES for 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one is Fc1ccc2onc(Cl)c2c1.O=c1cc(F)o[nH]1.
What is the InChIKey of 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one?
The InChIKey is NZZKRAQPBYQVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO.C3H2FNO2/c8-7-5-3-4(9)1-2-6(5)11-10-7;4-2-1-3(6)5-7-2/h1-3H;1H,(H,5,6).
What are the key properties of 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one?
3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one has a molecular weight of 274.61 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one is sourced from PubChem (CID 159933905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).