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

C14H11BrN2O2 — CID 104728767

IUPAC5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
SMILESCOc1ccccc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H11BrN2O2/c1-18-12-5-3-2-4-9(12)14-17-11-7-8(15)6-10(16)13(11)19-14/h2-7H,16H2,1H3
InChIKeyPGAVKZYNUMYUIA-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.85
Rot. Bonds2

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

5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine (PubChem CID 104728767) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
PubChem CID104728767
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
SMILESCOc1ccccc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H11BrN2O2/c1-18-12-5-3-2-4-9(12)14-17-11-7-8(15)6-10(16)13(11)19-14/h2-7H,16H2,1H3
InChIKeyPGAVKZYNUMYUIA-UHFFFAOYSA-N
XLogP3.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.85
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-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728936
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
5-bromo-2-(5-ethylfuran-2-yl)-1,3-benzoxazol-7-amine
CID 104728960
5-bromo-2-(2,4,5-trimethylfuran-3-yl)-1,3-benzoxazol-7-amine
CID 104728797
5-bromo-2-(2,4,6-trifluorophenyl)-1,3-benzoxazol-7-amine
CID 104728988
5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
CID 107939138
4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
CID 107209324

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine (CID 104728767) is 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine is COc1ccccc1-c1nc2cc(Br)cc(N)c2o1.
What is the InChIKey of 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine?
The InChIKey is PGAVKZYNUMYUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-18-12-5-3-2-4-9(12)14-17-11-7-8(15)6-10(16)13(11)19-14/h2-7H,16H2,1H3.
What are the key properties of 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine?
5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine has a molecular weight of 319.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 104728767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).