5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine

C14H10BrFN2O — CID 104728936

IUPAC5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine
SMILESCc1cc(F)ccc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H10BrFN2O/c1-7-4-9(16)2-3-10(7)14-18-12-6-8(15)5-11(17)13(12)19-14/h2-6H,17H2,1H3
InChIKeyKOCGUKJYRPKROG-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.29
Rot. Bonds1

About 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine

5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine (PubChem CID 104728936) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine
PubChem CID104728936
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine
SMILESCc1cc(F)ccc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C14H10BrFN2O/c1-7-4-9(16)2-3-10(7)14-18-12-6-8(15)5-11(17)13(12)19-14/h2-6H,17H2,1H3
InChIKeyKOCGUKJYRPKROG-UHFFFAOYSA-N
XLogP4.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
5-bromo-2-(3-fluoro-5-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728991
5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728767
5-bromo-2-(2,4,6-trifluorophenyl)-1,3-benzoxazol-7-amine
CID 104728988
4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
CID 63675808
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
5-bromo-2-(2,4,5-trimethylfuran-3-yl)-1,3-benzoxazol-7-amine
CID 104728797
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788
5-bromo-2-(5-ethylfuran-2-yl)-1,3-benzoxazol-7-amine
CID 104728960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine (CID 104728936) is 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine is Cc1cc(F)ccc1-c1nc2cc(Br)cc(N)c2o1.
What is the InChIKey of 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine?
The InChIKey is KOCGUKJYRPKROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-7-4-9(16)2-3-10(7)14-18-12-6-8(15)5-11(17)13(12)19-14/h2-6H,17H2,1H3.
What are the key properties of 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine?
5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine has a molecular weight of 321.15 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 104728936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).