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

C8H4BrN3O2 — CID 20983370

IUPAC5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)o2)noc1N
InChIInChI=1S/C8H4BrN3O2/c9-6-2-1-5(13-6)7-4(3-10)8(11)14-12-7/h1-2H,11H2
InChIKeyYCBWOPFRILTCKS-UHFFFAOYSA-N
MW254.04 g/mol
LogP2.15
Rot. Bonds1

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

5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 20983370) has the molecular formula C8H4BrN3O2 and a molecular weight of 254.04 g/mol. Its IUPAC name is 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile
PubChem CID20983370
Molecular FormulaC8H4BrN3O2
Molecular Weight254.04 g/mol
Exact Mass252.95
IUPAC Name5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)o2)noc1N
InChIInChI=1S/C8H4BrN3O2/c9-6-2-1-5(13-6)7-4(3-10)8(11)14-12-7/h1-2H,11H2
InChIKeyYCBWOPFRILTCKS-UHFFFAOYSA-N
XLogP2.15
TPSA88.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.04
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile (CID 20983370) is 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile is N#Cc1c(-c2ccc(Br)o2)noc1N.
What is the InChIKey of 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is YCBWOPFRILTCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3O2/c9-6-2-1-5(13-6)7-4(3-10)8(11)14-12-7/h1-2H,11H2.
What are the key properties of 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 254.04 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-bromofuran-2-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 20983370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).