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

C14H12FN3O — CID 891850

IUPAC2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1N1CCCC1
InChIInChI=1S/C14H12FN3O/c15-11-6-2-1-5-10(11)13-17-12(9-16)14(19-13)18-7-3-4-8-18/h1-2,5-6H,3-4,7-8H2
InChIKeyYDCFUQGYWYZIJT-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.95
Rot. Bonds2

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

2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 891850) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID891850
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1N1CCCC1
InChIInChI=1S/C14H12FN3O/c15-11-6-2-1-5-10(11)13-17-12(9-16)14(19-13)18-7-3-4-8-18/h1-2,5-6H,3-4,7-8H2
InChIKeyYDCFUQGYWYZIJT-UHFFFAOYSA-N
XLogP2.95
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (CID 891850) is 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1N1CCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is YDCFUQGYWYZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-6-2-1-5-10(11)13-17-12(9-16)14(19-13)18-7-3-4-8-18/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).