7-bromo-2-ethyl-5-propyl-1,3-benzoxazole

C12H14BrNO — CID 82233377

IUPAC7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
SMILESCCCc1cc(Br)c2oc(CC)nc2c1
InChIInChI=1S/C12H14BrNO/c1-3-5-8-6-9(13)12-10(7-8)14-11(4-2)15-12/h6-7H,3-5H2,1-2H3
InChIKeyDQNYWWYPZZBOLE-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.11
Rot. Bonds3

About 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole

7-bromo-2-ethyl-5-propyl-1,3-benzoxazole (PubChem CID 82233377) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
PubChem CID82233377
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
SMILESCCCc1cc(Br)c2oc(CC)nc2c1
InChIInChI=1S/C12H14BrNO/c1-3-5-8-6-9(13)12-10(7-8)14-11(4-2)15-12/h6-7H,3-5H2,1-2H3
InChIKeyDQNYWWYPZZBOLE-UHFFFAOYSA-N
XLogP4.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
7-bromo-5-butyl-2-methyl-1,3-benzoxazole
CID 82233379
2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
CID 82232206
2-ethyl-5,7-dimethyl-1,3-benzoxazole
CID 82229674
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
CID 94675137
2-benzhydryl-7-bromo-5-ethyl-1,3-benzoxazole
CID 91673766
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 82233371
3-bromo-4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 95910791
5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095491

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole (CID 82233377) is 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole is CCCc1cc(Br)c2oc(CC)nc2c1.
What is the InChIKey of 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole?
The InChIKey is DQNYWWYPZZBOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-3-5-8-6-9(13)12-10(7-8)14-11(4-2)15-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole?
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole has a molecular weight of 268.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-5-propyl-1,3-benzoxazole is sourced from PubChem (CID 82233377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).