5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole

C13H13BrFNO — CID 82234029

IUPAC5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
SMILESFc1cc(Br)cc2nc(C3CCCCC3)oc12
InChIInChI=1S/C13H13BrFNO/c14-9-6-10(15)12-11(7-9)16-13(17-12)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLZXZUWWDZISIIT-UHFFFAOYSA-N
MW298.15 g/mol
LogP4.78
Rot. Bonds1

About 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole

5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole (PubChem CID 82234029) has the molecular formula C13H13BrFNO and a molecular weight of 298.15 g/mol. Its IUPAC name is 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
PubChem CID82234029
Molecular FormulaC13H13BrFNO
Molecular Weight298.15 g/mol
Exact Mass297.02
IUPAC Name5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
SMILESFc1cc(Br)cc2nc(C3CCCCC3)oc12
InChIInChI=1S/C13H13BrFNO/c14-9-6-10(15)12-11(7-9)16-13(17-12)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLZXZUWWDZISIIT-UHFFFAOYSA-N
XLogP4.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
CID 82233643
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
7-bromo-2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
CID 82233933
4-bromo-1-cyclopentyl-2-fluorobenzene
CID 122471293
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
CID 82232727
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole
CID 96602192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole (CID 82234029) is 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole is Fc1cc(Br)cc2nc(C3CCCCC3)oc12.
What is the InChIKey of 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole?
The InChIKey is LZXZUWWDZISIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c14-9-6-10(15)12-11(7-9)16-13(17-12)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole?
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole has a molecular weight of 298.15 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole is sourced from PubChem (CID 82234029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).