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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Related Compounds

5-fluoro-1,2-oxazol-3-one
CID 18696215
5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
CID 18357602
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate;3-chloro-5-fluoro-1,2-benzoxazole
CID 158106786
potassium (3-chloro-1,2-benzoxazol-5-yl)-trifluoroboranuide
CID 167734889
2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
CID 166430967
5-fluoro-3-methylsulfanyl-1,2-benzoxazole
CID 123369896
(3-chloro-1,2-benzoxazol-5-yl)boronic acid
CID 167714834
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
CID 83821470
6-fluoro-1,2-benzoxazol-3-one
CID 11355591
6-chloro-10-fluorochromeno[2,3-c]quinolin-12-one
CID 139572456
5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
CID 67409444
4-acetyl-6-fluorochromen-2-one
CID 53386591

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).