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

C15H12BrNO2 — CID 135333421

IUPAC2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
SMILESCCOc1cc(Br)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C15H12BrNO2/c1-2-18-14-9-10(16)7-8-11(14)15-17-12-5-3-4-6-13(12)19-15/h3-9H,2H2,1H3
InChIKeyDCEINWTZNIRXRF-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.66
Rot. Bonds3

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

2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole (PubChem CID 135333421) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
PubChem CID135333421
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
SMILESCCOc1cc(Br)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C15H12BrNO2/c1-2-18-14-9-10(16)7-8-11(14)15-17-12-5-3-4-6-13(12)19-15/h3-9H,2H2,1H3
InChIKeyDCEINWTZNIRXRF-UHFFFAOYSA-N
XLogP4.66
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-phenylmethoxyphenyl)-1,3-benzoxazole
CID 121392545
6-bromo-2-(2-ethoxyphenyl)-3,1-benzoxazin-4-one
CID 1253920
ethyl 2-[2-(1,3-benzoxazol-2-yl)-4-bromophenoxy]-2-phenylacetate
CID 23540864
2-[4-(4-ethoxyphenyl)-2-fluorophenyl]-1,3-benzoxazole
CID 122387572
6-bromo-2-(3-ethoxyphenyl)-1,3-benzoxazole
CID 23025986
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide
CID 135645663
2-(4-diethoxyphosphoryl-2-methylphenyl)-1,3-benzoxazole
CID 154174196
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-(3-bromo-2,4,5-trifluorophenyl)-1,3-benzoxazole
CID 139662329
CID 168730973
CID 168730973
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
CID 1362317
2-[5-bromo-2-(3-phenylprop-2-enoxy)phenyl]-5-methyl-1,3-benzoxazole
CID 68525175

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole (CID 135333421) is 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole is CCOc1cc(Br)ccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole?
The InChIKey is DCEINWTZNIRXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-2-18-14-9-10(16)7-8-11(14)15-17-12-5-3-4-6-13(12)19-15/h3-9H,2H2,1H3.
What are the key properties of 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole?
2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole has a molecular weight of 318.17 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 135333421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).