3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile

C8H4BrN3OS — CID 83743341

IUPAC3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N)noc1-c1ccc(Br)s1
InChIInChI=1S/C8H4BrN3OS/c9-6-2-1-5(14-6)7-4(3-10)8(11)12-13-7/h1-2H,(H2,11,12)
InChIKeyUFULQHZAMMICFW-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.62
Rot. Bonds1

About 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile

3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 83743341) has the molecular formula C8H4BrN3OS and a molecular weight of 270.11 g/mol. Its IUPAC name is 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
PubChem CID83743341
Molecular FormulaC8H4BrN3OS
Molecular Weight270.11 g/mol
Exact Mass268.93
IUPAC Name3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N)noc1-c1ccc(Br)s1
InChIInChI=1S/C8H4BrN3OS/c9-6-2-1-5(14-6)7-4(3-10)8(11)12-13-7/h1-2H,(H2,11,12)
InChIKeyUFULQHZAMMICFW-UHFFFAOYSA-N
XLogP2.62
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile (CID 83743341) is 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile is N#Cc1c(N)noc1-c1ccc(Br)s1.
What is the InChIKey of 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is UFULQHZAMMICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3OS/c9-6-2-1-5(14-6)7-4(3-10)8(11)12-13-7/h1-2H,(H2,11,12).
What are the key properties of 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile?
3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 270.11 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 83743341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).