5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine

C14H10BrClN2O2 — CID 104728788

IUPAC5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
SMILESCOc1ccc(Cl)cc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H10BrClN2O2/c1-19-12-3-2-8(16)6-9(12)14-18-11-5-7(15)4-10(17)13(11)20-14/h2-6H,17H2,1H3
InChIKeyZCQVSZSBKSRLBQ-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.50
Rot. Bonds2

About 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine

5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine (PubChem CID 104728788) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
PubChem CID104728788
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
SMILESCOc1ccc(Cl)cc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H10BrClN2O2/c1-19-12-3-2-8(16)6-9(12)14-18-11-5-7(15)4-10(17)13(11)20-14/h2-6H,17H2,1H3
InChIKeyZCQVSZSBKSRLBQ-UHFFFAOYSA-N
XLogP4.50
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728767
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
CID 107939138
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
5-bromo-2-(2,4,6-trifluorophenyl)-1,3-benzoxazol-7-amine
CID 104728988
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
5-bromo-2-(5-ethylfuran-2-yl)-1,3-benzoxazol-7-amine
CID 104728960
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine (CID 104728788) is 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine is COc1ccc(Cl)cc1-c1nc2cc(Br)cc(N)c2o1.
What is the InChIKey of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine?
The InChIKey is ZCQVSZSBKSRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c1-19-12-3-2-8(16)6-9(12)14-18-11-5-7(15)4-10(17)13(11)20-14/h2-6H,17H2,1H3.
What are the key properties of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine?
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine has a molecular weight of 353.60 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 104728788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).