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

C14H10BrN3O — CID 80524140

IUPAC5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Br)c2)c1-c1cccnc1
InChIInChI=1S/C14H10BrN3O/c15-11-5-1-3-9(7-11)13-12(14(16)18-19-13)10-4-2-6-17-8-10/h1-8H,(H2,16,18)
InChIKeyROGZXUNWOPQSMX-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.75
Rot. Bonds2

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

5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 80524140) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID80524140
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Br)c2)c1-c1cccnc1
InChIInChI=1S/C14H10BrN3O/c15-11-5-1-3-9(7-11)13-12(14(16)18-19-13)10-4-2-6-17-8-10/h1-8H,(H2,16,18)
InChIKeyROGZXUNWOPQSMX-UHFFFAOYSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523943
5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107967228
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
5-(5-bromofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524267
5-(3-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524169
5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107954870
5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524209
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
CID 105064768
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823944
5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106864599
5-(2,5-dimethylfuran-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524208
5-(5-chlorofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106690695

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 80524140) is 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccc(Br)c2)c1-c1cccnc1.
What is the InChIKey of 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is ROGZXUNWOPQSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-5-1-3-9(7-11)13-12(14(16)18-19-13)10-4-2-6-17-8-10/h1-8H,(H2,16,18).
What are the key properties of 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 316.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80524140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).