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

C15H12BrN3O — CID 80523150

IUPAC3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESCc1cc(Br)ccc1-c1noc(N)c1-c1cccnc1
InChIInChI=1S/C15H12BrN3O/c1-9-7-11(16)4-5-12(9)14-13(15(17)20-19-14)10-3-2-6-18-8-10/h2-8H,17H2,1H3
InChIKeyCOOBOPHNPVWYOM-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.06
Rot. Bonds2

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

3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 80523150) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID80523150
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESCc1cc(Br)ccc1-c1noc(N)c1-c1cccnc1
InChIInChI=1S/C15H12BrN3O/c1-9-7-11(16)4-5-12(9)14-13(15(17)20-19-14)10-3-2-6-18-8-10/h2-8H,17H2,1H3
InChIKeyCOOBOPHNPVWYOM-UHFFFAOYSA-N
XLogP4.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine (CID 80523150) is 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is Cc1cc(Br)ccc1-c1noc(N)c1-c1cccnc1.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is COOBOPHNPVWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-7-11(16)4-5-12(9)14-13(15(17)20-19-14)10-3-2-6-18-8-10/h2-8H,17H2,1H3.
What are the key properties of 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine has a molecular weight of 330.19 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80523150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).