7-bromo-4-ethyl-2-methyl-1,3-benzoxazole

C10H10BrNO — CID 90932922

IUPAC7-bromo-4-ethyl-2-methyl-1,3-benzoxazole
SMILESCCc1ccc(Br)c2oc(C)nc12
InChIInChI=1S/C10H10BrNO/c1-3-7-4-5-8(11)10-9(7)12-6(2)13-10/h4-5H,3H2,1-2H3
InChIKeyVMBNNPUIDPPTEF-UHFFFAOYSA-N
MW240.10 g/mol
LogP3.46
Rot. Bonds1

About 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole

7-bromo-4-ethyl-2-methyl-1,3-benzoxazole (PubChem CID 90932922) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-4-ethyl-2-methyl-1,3-benzoxazole
PubChem CID90932922
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name7-bromo-4-ethyl-2-methyl-1,3-benzoxazole
SMILESCCc1ccc(Br)c2oc(C)nc12
InChIInChI=1S/C10H10BrNO/c1-3-7-4-5-8(11)10-9(7)12-6(2)13-10/h4-5H,3H2,1-2H3
InChIKeyVMBNNPUIDPPTEF-UHFFFAOYSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole (CID 90932922) is 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole is CCc1ccc(Br)c2oc(C)nc12.
What is the InChIKey of 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole?
The InChIKey is VMBNNPUIDPPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-3-7-4-5-8(11)10-9(7)12-6(2)13-10/h4-5H,3H2,1-2H3.
What are the key properties of 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole?
7-bromo-4-ethyl-2-methyl-1,3-benzoxazole has a molecular weight of 240.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethyl-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 90932922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).