7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole

C11H10BrNO2 — CID 168875554

IUPAC7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole
SMILESCOc1ccc(Br)c2oc(C3CC3)nc12
InChIInChI=1S/C11H10BrNO2/c1-14-8-5-4-7(12)10-9(8)13-11(15-10)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyWOAIBXOQCFUOBR-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.48
Rot. Bonds2

About 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole

7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole (PubChem CID 168875554) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole
PubChem CID168875554
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole
SMILESCOc1ccc(Br)c2oc(C3CC3)nc12
InChIInChI=1S/C11H10BrNO2/c1-14-8-5-4-7(12)10-9(8)13-11(15-10)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyWOAIBXOQCFUOBR-UHFFFAOYSA-N
XLogP3.48
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole (CID 168875554) is 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole is COc1ccc(Br)c2oc(C3CC3)nc12.
What is the InChIKey of 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole?
The InChIKey is WOAIBXOQCFUOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-14-8-5-4-7(12)10-9(8)13-11(15-10)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole?
7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole has a molecular weight of 268.11 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclopropyl-4-methoxy-1,3-benzoxazole is sourced from PubChem (CID 168875554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).