5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole

C14H18BrNO2 — CID 82234385

IUPAC5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
SMILESCOCCc1nc2cc(Br)cc(C(C)(C)C)c2o1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)10-7-9(15)8-11-13(10)18-12(16-11)5-6-17-4/h7-8H,5-6H2,1-4H3
InChIKeyHVTRNUDOYOQXCL-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole

5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole (PubChem CID 82234385) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
PubChem CID82234385
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
SMILESCOCCc1nc2cc(Br)cc(C(C)(C)C)c2o1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)10-7-9(15)8-11-13(10)18-12(16-11)5-6-17-4/h7-8H,5-6H2,1-4H3
InChIKeyHVTRNUDOYOQXCL-UHFFFAOYSA-N
XLogP4.08
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
CID 82232999
(5,7-ditert-butyl-1,3-benzoxazol-2-yl)methanol
CID 139136989
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole
CID 177445212
3-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82233736
5-bromo-2-(2,4,4-trimethylpentyl)-1,3-benzoxazol-7-amine
CID 104728776
5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
CID 155295915
4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82232169
5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
CID 82233690
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 82233371

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole?
The IUPAC name of 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole (CID 82234385) is 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole?
The canonical SMILES for 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole is COCCc1nc2cc(Br)cc(C(C)(C)C)c2o1.
What is the InChIKey of 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole?
The InChIKey is HVTRNUDOYOQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)10-7-9(15)8-11-13(10)18-12(16-11)5-6-17-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole?
5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole has a molecular weight of 312.21 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole is sourced from PubChem (CID 82234385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).