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

C8H4FN3OS — CID 130594467

IUPAC5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2sccc2F)oc1N
InChIInChI=1S/C8H4FN3OS/c9-4-1-2-14-6(4)8-12-5(3-10)7(11)13-8/h1-2H,11H2
InChIKeyCFDVCJKKGPLIFM-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.00
Rot. Bonds1

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

5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 130594467) has the molecular formula C8H4FN3OS and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID130594467
Molecular FormulaC8H4FN3OS
Molecular Weight209.21 g/mol
Exact Mass209.01
IUPAC Name5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2sccc2F)oc1N
InChIInChI=1S/C8H4FN3OS/c9-4-1-2-14-6(4)8-12-5(3-10)7(11)13-8/h1-2H,11H2
InChIKeyCFDVCJKKGPLIFM-UHFFFAOYSA-N
XLogP2.00
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile (CID 130594467) is 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2sccc2F)oc1N.
What is the InChIKey of 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is CFDVCJKKGPLIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3OS/c9-4-1-2-14-6(4)8-12-5(3-10)7(11)13-8/h1-2H,11H2.
What are the key properties of 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 209.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-fluorothiophen-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 130594467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).