7-bromo-2-chloro-6-methoxy-1,3-benzoxazole

C8H5BrClNO2 — CID 130140427

IUPAC7-bromo-2-chloro-6-methoxy-1,3-benzoxazole
SMILESCOc1ccc2nc(Cl)oc2c1Br
InChIInChI=1S/C8H5BrClNO2/c1-12-5-3-2-4-7(6(5)9)13-8(10)11-4/h2-3H,1H3
InChIKeyBVERNCDFBGFNOB-UHFFFAOYSA-N
MW262.49 g/mol
LogP3.25
Rot. Bonds1

About 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole

7-bromo-2-chloro-6-methoxy-1,3-benzoxazole (PubChem CID 130140427) has the molecular formula C8H5BrClNO2 and a molecular weight of 262.49 g/mol. Its IUPAC name is 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-chloro-6-methoxy-1,3-benzoxazole
PubChem CID130140427
Molecular FormulaC8H5BrClNO2
Molecular Weight262.49 g/mol
Exact Mass260.92
IUPAC Name7-bromo-2-chloro-6-methoxy-1,3-benzoxazole
SMILESCOc1ccc2nc(Cl)oc2c1Br
InChIInChI=1S/C8H5BrClNO2/c1-12-5-3-2-4-7(6(5)9)13-8(10)11-4/h2-3H,1H3
InChIKeyBVERNCDFBGFNOB-UHFFFAOYSA-N
XLogP3.25
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-7-methoxy-1,3-benzoxazole
CID 131003018
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
5-bromo-4-chloro-6-methoxy-2-methylquinoline
CID 82581093
4-bromo-5-methoxy-2,1,3-benzoxadiazole
CID 615112
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
1-bromo-2-methoxy-9-phenylacridine
CID 11439907
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974
7-methoxy-2-methylsulfanyl-1,3-benzoxazole
CID 130784427
2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine
CID 96594837
7-bromo-2-chloro-4-methoxyquinoline
CID 86036464
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole (CID 130140427) is 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole is COc1ccc2nc(Cl)oc2c1Br.
What is the InChIKey of 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole?
The InChIKey is BVERNCDFBGFNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO2/c1-12-5-3-2-4-7(6(5)9)13-8(10)11-4/h2-3H,1H3.
What are the key properties of 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole?
7-bromo-2-chloro-6-methoxy-1,3-benzoxazole has a molecular weight of 262.49 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-6-methoxy-1,3-benzoxazole is sourced from PubChem (CID 130140427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).