4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine

C13H8BrClN2OS — CID 66198052

IUPAC4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)s2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H8BrClN2OS/c14-8-3-1-2-7(6-8)11-12(18-17-13(11)16)9-4-5-10(15)19-9/h1-6H,(H2,16,17)
InChIKeyKBSDDOONGZNCMP-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.07
Rot. Bonds2

About 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66198052) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66198052
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)s2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H8BrClN2OS/c14-8-3-1-2-7(6-8)11-12(18-17-13(11)16)9-4-5-10(15)19-9/h1-6H,(H2,16,17)
InChIKeyKBSDDOONGZNCMP-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine (CID 66198052) is 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)s2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is KBSDDOONGZNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c14-8-3-1-2-7(6-8)11-12(18-17-13(11)16)9-4-5-10(15)19-9/h1-6H,(H2,16,17).
What are the key properties of 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-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 4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).