2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline

C14H10Br2N2O2 — CID 114764858

IUPAC2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
SMILESCOc1cccc2oc(-c3cc(Br)cc(Br)c3N)nc12
InChIInChI=1S/C14H10Br2N2O2/c1-19-10-3-2-4-11-13(10)18-14(20-11)8-5-7(15)6-9(16)12(8)17/h2-6H,17H2,1H3
InChIKeyMVIJHPPYCGKDQM-UHFFFAOYSA-N
MW398.05 g/mol
LogP4.61
Rot. Bonds2

About 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline

2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline (PubChem CID 114764858) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
PubChem CID114764858
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline
SMILESCOc1cccc2oc(-c3cc(Br)cc(Br)c3N)nc12
InChIInChI=1S/C14H10Br2N2O2/c1-19-10-3-2-4-11-13(10)18-14(20-11)8-5-7(15)6-9(16)12(8)17/h2-6H,17H2,1H3
InChIKeyMVIJHPPYCGKDQM-UHFFFAOYSA-N
XLogP4.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 54.61
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

2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
CID 114764907
2-bromo-5-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 107813887
4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114765012
4,6-dibromo-2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-amine
CID 50881708
N-[2-amino-4-(4-methoxy-1,3-benzoxazol-2-yl)phenyl]-N-(2-methylpropyl)nitrous amide
CID 170028225
4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
CID 114764886
3-bromo-8-methoxyquinolin-2-amine
CID 97181839
5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728767
7-bromo-2-ethyl-4-methoxy-1,3-benzoxazole;2-ethyl-4-methoxy-1,3-benzoxazole
CID 159907783
2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
CID 81284777
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
2,4-dibromo-6-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 55177881

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline (CID 114764858) is 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline is COc1cccc2oc(-c3cc(Br)cc(Br)c3N)nc12.
What is the InChIKey of 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
The InChIKey is MVIJHPPYCGKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c1-19-10-3-2-4-11-13(10)18-14(20-11)8-5-7(15)6-9(16)12(8)17/h2-6H,17H2,1H3.
What are the key properties of 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline?
2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline has a molecular weight of 398.05 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(4-methoxy-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 114764858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).