4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine

C14H9BrFN3O — CID 104643343

IUPAC4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)cn2)c1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrFN3O/c15-9-3-1-2-8(6-9)12-13(20-19-14(12)17)11-5-4-10(16)7-18-11/h1-7H,(H2,17,19)
InChIKeySFQYTOSSQTXJNY-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.89
Rot. Bonds2

About 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine (PubChem CID 104643343) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
PubChem CID104643343
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)cn2)c1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrFN3O/c15-9-3-1-2-8(6-9)12-13(20-19-14(12)17)11-5-4-10(16)7-18-11/h1-7H,(H2,17,19)
InChIKeySFQYTOSSQTXJNY-UHFFFAOYSA-N
XLogP3.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine (CID 104643343) is 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)cn2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
The InChIKey is SFQYTOSSQTXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-9-3-1-2-8(6-9)12-13(20-19-14(12)17)11-5-4-10(16)7-18-11/h1-7H,(H2,17,19).
What are the key properties of 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine has a molecular weight of 334.15 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104643343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).