5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine

C13H8BrClN2O2 — CID 106856445

IUPAC5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccoc2Br)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8BrClN2O2/c14-12-9(4-5-18-12)11-10(13(16)17-19-11)7-2-1-3-8(15)6-7/h1-6H,(H2,16,17)
InChIKeyCGYOMMOVDBZMEM-UHFFFAOYSA-N
MW339.58 g/mol
LogP4.60
Rot. Bonds2

About 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine

5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 106856445) has the molecular formula C13H8BrClN2O2 and a molecular weight of 339.58 g/mol. Its IUPAC name is 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID106856445
Molecular FormulaC13H8BrClN2O2
Molecular Weight339.58 g/mol
Exact Mass337.95
IUPAC Name5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccoc2Br)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8BrClN2O2/c14-12-9(4-5-18-12)11-10(13(16)17-19-11)7-2-1-3-8(15)6-7/h1-6H,(H2,16,17)
InChIKeyCGYOMMOVDBZMEM-UHFFFAOYSA-N
XLogP4.60
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
5-(2-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66199097
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 80642541
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine (CID 106856445) is 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccoc2Br)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is CGYOMMOVDBZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2/c14-12-9(4-5-18-12)11-10(13(16)17-19-11)7-2-1-3-8(15)6-7/h1-6H,(H2,16,17).
What are the key properties of 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 339.58 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106856445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).