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

C13H7Br2ClN2OS — CID 80538050

IUPAC4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Br)c(Br)s2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H7Br2ClN2OS/c14-8-5-9(20-12(8)15)11-10(13(17)18-19-11)6-1-3-7(16)4-2-6/h1-5H,(H2,17,18)
InChIKeyOKASUHXKLQMSFO-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.83
Rot. Bonds2

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

4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 80538050) has the molecular formula C13H7Br2ClN2OS and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID80538050
Molecular FormulaC13H7Br2ClN2OS
Molecular Weight434.54 g/mol
Exact Mass431.83
IUPAC Name4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Br)c(Br)s2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H7Br2ClN2OS/c14-8-5-9(20-12(8)15)11-10(13(17)18-19-11)6-1-3-7(16)4-2-6/h1-5H,(H2,17,18)
InChIKeyOKASUHXKLQMSFO-UHFFFAOYSA-N
XLogP5.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dibromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 80537331
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 80538327
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218
5-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 66202073
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine (CID 80538050) is 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Br)c(Br)s2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is OKASUHXKLQMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2OS/c14-8-5-9(20-12(8)15)11-10(13(17)18-19-11)6-1-3-7(16)4-2-6/h1-5H,(H2,17,18).
What are the key properties of 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine?
4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 434.54 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 80538050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).