5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

C19H16FN5O — CID 46300245

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H16FN5O/c20-15-5-1-2-6-17(15)24-8-10-25(11-9-24)19-16(12-21)23-18(26-19)14-4-3-7-22-13-14/h1-7,13H,8-11H2
InChIKeyOAAVUBHKRAPDID-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.07
Rot. Bonds3

About 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (PubChem CID 46300245) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
PubChem CID46300245
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H16FN5O/c20-15-5-1-2-6-17(15)24-8-10-25(11-9-24)19-16(12-21)23-18(26-19)14-4-3-7-22-13-14/h1-7,13H,8-11H2
InChIKeyOAAVUBHKRAPDID-UHFFFAOYSA-N
XLogP3.07
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (CID 46300245) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is OAAVUBHKRAPDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-15-5-1-2-6-17(15)24-8-10-25(11-9-24)19-16(12-21)23-18(26-19)14-4-3-7-22-13-14/h1-7,13H,8-11H2.
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 349.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46300245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).