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

C10H8BrFN2O — CID 79556620

IUPAC4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2Br)ccc1F
InChIInChI=1S/C10H8BrFN2O/c1-5-4-6(2-3-7(5)12)9-8(11)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyOUGMAYGIPGDHHV-UHFFFAOYSA-N
MW271.09 g/mol
LogP3.13
Rot. Bonds1

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

4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 79556620) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID79556620
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2Br)ccc1F
InChIInChI=1S/C10H8BrFN2O/c1-5-4-6(2-3-7(5)12)9-8(11)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyOUGMAYGIPGDHHV-UHFFFAOYSA-N
XLogP3.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine (CID 79556620) is 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2Br)ccc1F.
What is the InChIKey of 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is OUGMAYGIPGDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-5-4-6(2-3-7(5)12)9-8(11)10(13)14-15-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 271.09 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79556620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).