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

C15H12BrN3O2 — CID 115370348

IUPAC5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCOc1cc(Br)ccc1-c1onc(N)c1-c1ccccn1
InChIInChI=1S/C15H12BrN3O2/c1-20-12-8-9(16)5-6-10(12)14-13(15(17)19-21-14)11-4-2-3-7-18-11/h2-8H,1H3,(H2,17,19)
InChIKeyYKLQEHQFYLUDHP-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.76
Rot. Bonds3

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

5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (PubChem CID 115370348) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
PubChem CID115370348
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCOc1cc(Br)ccc1-c1onc(N)c1-c1ccccn1
InChIInChI=1S/C15H12BrN3O2/c1-20-12-8-9(16)5-6-10(12)14-13(15(17)19-21-14)11-4-2-3-7-18-11/h2-8H,1H3,(H2,17,19)
InChIKeyYKLQEHQFYLUDHP-UHFFFAOYSA-N
XLogP3.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (CID 115370348) is 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is COc1cc(Br)ccc1-c1onc(N)c1-c1ccccn1.
What is the InChIKey of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The InChIKey is YKLQEHQFYLUDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-20-12-8-9(16)5-6-10(12)14-13(15(17)19-21-14)11-4-2-3-7-18-11/h2-8H,1H3,(H2,17,19).
What are the key properties of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine has a molecular weight of 346.18 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 115370348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).