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

C10H6FN3O — CID 6618851

IUPAC5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)noc1N
InChIInChI=1S/C10H6FN3O/c11-7-3-1-6(2-4-7)9-8(5-12)10(13)15-14-9/h1-4H,13H2
InChIKeyYQXLNBUELUXLNO-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.93
Rot. Bonds1

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

5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 6618851) has the molecular formula C10H6FN3O and a molecular weight of 203.18 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile
PubChem CID6618851
Molecular FormulaC10H6FN3O
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)noc1N
InChIInChI=1S/C10H6FN3O/c11-7-3-1-6(2-4-7)9-8(5-12)10(13)15-14-9/h1-4H,13H2
InChIKeyYQXLNBUELUXLNO-UHFFFAOYSA-N
XLogP1.93
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile (CID 6618851) is 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile is N#Cc1c(-c2ccc(F)cc2)noc1N.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is YQXLNBUELUXLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O/c11-7-3-1-6(2-4-7)9-8(5-12)10(13)15-14-9/h1-4H,13H2.
What are the key properties of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 203.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 6618851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).