7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole

C14H18BrNO — CID 82233986

IUPAC7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(CC(C)(C)C)oc2c1Br
InChIInChI=1S/C14H18BrNO/c1-8-6-9(2)12-13(11(8)15)17-10(16-12)7-14(3,4)5/h6H,7H2,1-5H3
InChIKeyBBYRZDHEVZLEMD-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.80
Rot. Bonds1

About 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole

7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole (PubChem CID 82233986) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole
PubChem CID82233986
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(CC(C)(C)C)oc2c1Br
InChIInChI=1S/C14H18BrNO/c1-8-6-9(2)12-13(11(8)15)17-10(16-12)7-14(3,4)5/h6H,7H2,1-5H3
InChIKeyBBYRZDHEVZLEMD-UHFFFAOYSA-N
XLogP4.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole (CID 82233986) is 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole is Cc1cc(C)c2nc(CC(C)(C)C)oc2c1Br.
What is the InChIKey of 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole?
The InChIKey is BBYRZDHEVZLEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-8-6-9(2)12-13(11(8)15)17-10(16-12)7-14(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole?
7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole has a molecular weight of 296.21 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 82233986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).