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

C13H6Br2ClFN2OS — CID 107962865

IUPAC4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)sc2Br)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H6Br2ClFN2OS/c14-8-4-5(12(15)21-8)11-10(13(18)20-19-11)9-6(16)2-1-3-7(9)17/h1-4H,18H2
InChIKeyKJSURLHZIOVJGO-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.97
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine (PubChem CID 107962865) has the molecular formula C13H6Br2ClFN2OS and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine
PubChem CID107962865
Molecular FormulaC13H6Br2ClFN2OS
Molecular Weight452.53 g/mol
Exact Mass449.82
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)sc2Br)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H6Br2ClFN2OS/c14-8-4-5(12(15)21-8)11-10(13(18)20-19-11)9-6(16)2-1-3-7(9)17/h1-4H,18H2
InChIKeyKJSURLHZIOVJGO-UHFFFAOYSA-N
XLogP5.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.97
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-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335681
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
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-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 65239414
4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 81454071
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine (CID 107962865) is 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)sc2Br)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine?
The InChIKey is KJSURLHZIOVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClFN2OS/c14-8-4-5(12(15)21-8)11-10(13(18)20-19-11)9-6(16)2-1-3-7(9)17/h1-4H,18H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine has a molecular weight of 452.53 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107962865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).