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

C14H12FN3O — CID 661055

IUPAC2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1
InChIInChI=1S/C14H12FN3O/c15-11-5-3-10(4-6-11)13-17-12(9-16)14(19-13)18-7-1-2-8-18/h3-6H,1-2,7-8H2
InChIKeyJDCBDIVEQMLPBZ-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.95
Rot. Bonds2

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

2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661055) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID661055
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1
InChIInChI=1S/C14H12FN3O/c15-11-5-3-10(4-6-11)13-17-12(9-16)14(19-13)18-7-1-2-8-18/h3-6H,1-2,7-8H2
InChIKeyJDCBDIVEQMLPBZ-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-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile (CID 661055) is 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is JDCBDIVEQMLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-5-3-10(4-6-11)13-17-12(9-16)14(19-13)18-7-1-2-8-18/h3-6H,1-2,7-8H2.
What are the key properties of 2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(4-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-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).