2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole

C14H10BrNO3 — CID 104707726

IUPAC2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
SMILESCOc1ccc(Oc2nc3ccccc3o2)c(Br)c1
InChIInChI=1S/C14H10BrNO3/c1-17-9-6-7-12(10(15)8-9)18-14-16-11-4-2-3-5-13(11)19-14/h2-8H,1H3
InChIKeyRIEUBIDBCCLLMN-UHFFFAOYSA-N
MW320.14 g/mol
LogP4.39
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole

2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole (PubChem CID 104707726) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
PubChem CID104707726
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
SMILESCOc1ccc(Oc2nc3ccccc3o2)c(Br)c1
InChIInChI=1S/C14H10BrNO3/c1-17-9-6-7-12(10(15)8-9)18-14-16-11-4-2-3-5-13(11)19-14/h2-8H,1H3
InChIKeyRIEUBIDBCCLLMN-UHFFFAOYSA-N
XLogP4.39
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-methoxyphenoxy)-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

Related Compounds

2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
CID 102703092
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
CID 47053079
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole (CID 104707726) is 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole is COc1ccc(Oc2nc3ccccc3o2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole?
The InChIKey is RIEUBIDBCCLLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c1-17-9-6-7-12(10(15)8-9)18-14-16-11-4-2-3-5-13(11)19-14/h2-8H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole?
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole has a molecular weight of 320.14 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole is sourced from PubChem (CID 104707726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).