2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile

C10H7FN2O — CID 143939081

IUPAC2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1coc(C2C=CC(F)=CC2)n1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10/h1,3-4,6-7H,2H2
InChIKeyJJOTVRWHQCAJLZ-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.44
Rot. Bonds1

About 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile

2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 143939081) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID143939081
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1coc(C2C=CC(F)=CC2)n1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10/h1,3-4,6-7H,2H2
InChIKeyJJOTVRWHQCAJLZ-UHFFFAOYSA-N
XLogP2.44
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile (CID 143939081) is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile is N#Cc1coc(C2C=CC(F)=CC2)n1.
What is the InChIKey of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is JJOTVRWHQCAJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10/h1,3-4,6-7H,2H2.
What are the key properties of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile?
2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 190.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 143939081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).