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

C10H5FN2O — CID 116858951

IUPAC5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C10H5FN2O/c11-8-3-1-2-7(4-8)10-5-9(6-12)13-14-10/h1-5H
InChIKeyGSYGPMKNLDLAQT-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.35
Rot. Bonds1

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

5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile (PubChem CID 116858951) has the molecular formula C10H5FN2O and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
PubChem CID116858951
Molecular FormulaC10H5FN2O
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C10H5FN2O/c11-8-3-1-2-7(4-8)10-5-9(6-12)13-14-10/h1-5H
InChIKeyGSYGPMKNLDLAQT-UHFFFAOYSA-N
XLogP2.35
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile (CID 116858951) is 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile is N#Cc1cc(-c2cccc(F)c2)on1.
What is the InChIKey of 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is GSYGPMKNLDLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O/c11-8-3-1-2-7(4-8)10-5-9(6-12)13-14-10/h1-5H.
What are the key properties of 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile?
5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 188.16 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 116858951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).