3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine

C13H7BrClFN2O2 — CID 43335681

IUPAC3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)o2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H7BrClFN2O2/c14-9-5-4-8(19-9)12-11(13(17)20-18-12)10-6(15)2-1-3-7(10)16/h1-5H,17H2
InChIKeyGGQAHMCZOZZFNZ-UHFFFAOYSA-N
MW357.57 g/mol
LogP4.74
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine

3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43335681) has the molecular formula C13H7BrClFN2O2 and a molecular weight of 357.57 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43335681
Molecular FormulaC13H7BrClFN2O2
Molecular Weight357.57 g/mol
Exact Mass355.94
IUPAC Name3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)o2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H7BrClFN2O2/c14-9-5-4-8(19-9)12-11(13(17)20-18-12)10-6(15)2-1-3-7(10)16/h1-5H,17H2
InChIKeyGGQAHMCZOZZFNZ-UHFFFAOYSA-N
XLogP4.74
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine
CID 107962865
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
3-(5-bromofuran-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine
CID 61496477
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501048
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 106687987

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine (CID 43335681) is 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)o2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is GGQAHMCZOZZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O2/c14-9-5-4-8(19-9)12-11(13(17)20-18-12)10-6(15)2-1-3-7(10)16/h1-5H,17H2.
What are the key properties of 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 357.57 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).