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

C13H8BrClN2OS — CID 43157978

IUPAC3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)s2)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8BrClN2OS/c14-10-5-4-9(19-10)12-11(13(16)18-17-12)7-2-1-3-8(15)6-7/h1-6H,16H2
InChIKeyIHYJYJKOKCMPGC-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.07
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 43157978) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID43157978
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)s2)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8BrClN2OS/c14-10-5-4-9(19-10)12-11(13(16)18-17-12)7-2-1-3-8(15)6-7/h1-6H,16H2
InChIKeyIHYJYJKOKCMPGC-UHFFFAOYSA-N
XLogP5.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829426
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614
4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335617
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine (CID 43157978) is 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)s2)c1-c1cccc(Cl)c1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is IHYJYJKOKCMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c14-10-5-4-9(19-10)12-11(13(16)18-17-12)7-2-1-3-8(15)6-7/h1-6H,16H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 355.64 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43157978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).