5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole

C14H16BrNO — CID 82233932

IUPAC5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
SMILESCC(C)(C)c1cc(Br)cc2nc(C3CC3)oc12
InChIInChI=1S/C14H16BrNO/c1-14(2,3)10-6-9(15)7-11-12(10)17-13(16-11)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyPNAYYSACRRIXTH-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.77
Rot. Bonds1

About 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole

5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole (PubChem CID 82233932) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
PubChem CID82233932
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
SMILESCC(C)(C)c1cc(Br)cc2nc(C3CC3)oc12
InChIInChI=1S/C14H16BrNO/c1-14(2,3)10-6-9(15)7-11-12(10)17-13(16-11)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyPNAYYSACRRIXTH-UHFFFAOYSA-N
XLogP4.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 82231334
5,7-ditert-butyl-2-cyclopropyl-1,3-benzoxazole;3,5-ditert-butylphenol
CID 159813342
7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
CID 82233643
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82234385
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
5-bromo-2-cyclopropylfuro[3,2-d][1,3]oxazole
CID 96602192
cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
4-bromo-2-tert-butyl-6-cyclopropylpyridine
CID 166041209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole?
The IUPAC name of 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole (CID 82233932) is 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole?
The canonical SMILES for 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole is CC(C)(C)c1cc(Br)cc2nc(C3CC3)oc12.
What is the InChIKey of 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole?
The InChIKey is PNAYYSACRRIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-14(2,3)10-6-9(15)7-11-12(10)17-13(16-11)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole?
5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole has a molecular weight of 294.19 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole is sourced from PubChem (CID 82233932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).