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

C14H18BrNO — CID 82233973

IUPAC7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
SMILESCCCc1nc2cc(C(C)(C)C)cc(Br)c2o1
InChIInChI=1S/C14H18BrNO/c1-5-6-12-16-11-8-9(14(2,3)4)7-10(15)13(11)17-12/h7-8H,5-6H2,1-4H3
InChIKeyWUGHIZOMCIUBQZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.84
Rot. Bonds2

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

7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole (PubChem CID 82233973) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
PubChem CID82233973
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
SMILESCCCc1nc2cc(C(C)(C)C)cc(Br)c2o1
InChIInChI=1S/C14H18BrNO/c1-5-6-12-16-11-8-9(14(2,3)4)7-10(15)13(11)17-12/h7-8H,5-6H2,1-4H3
InChIKeyWUGHIZOMCIUBQZ-UHFFFAOYSA-N
XLogP4.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
7-methyl-2-propyl-1,3-benzoxazol-5-amine
CID 82229883
(5,7-ditert-butyl-1,3-benzoxazol-2-yl)methanol
CID 139136989
2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
CID 82232206
5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
CID 82233212
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
CID 82231280
5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82234385
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole
CID 177445212
7-bromo-5-butyl-2-methyl-1,3-benzoxazole
CID 82233379

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole (CID 82233973) is 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole is CCCc1nc2cc(C(C)(C)C)cc(Br)c2o1.
What is the InChIKey of 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole?
The InChIKey is WUGHIZOMCIUBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-5-6-12-16-11-8-9(14(2,3)4)7-10(15)13(11)17-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole?
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole has a molecular weight of 296.21 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole is sourced from PubChem (CID 82233973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).