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

C21H21N5O — CID 34925173

IUPAC2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C21H21N5O/c22-16-19-21(27-20(24-19)18-4-2-1-3-5-18)26-14-12-25(13-15-26)11-8-17-6-9-23-10-7-17/h1-7,9-10H,8,11-15H2
InChIKeyMTZLOBWZIVAFGN-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.97
Rot. Bonds5

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

2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 34925173) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID34925173
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C21H21N5O/c22-16-19-21(27-20(24-19)18-4-2-1-3-5-18)26-14-12-25(13-15-26)11-8-17-6-9-23-10-7-17/h1-7,9-10H,8,11-15H2
InChIKeyMTZLOBWZIVAFGN-UHFFFAOYSA-N
XLogP2.97
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 34925173) is 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is MTZLOBWZIVAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-16-19-21(27-20(24-19)18-4-2-1-3-5-18)26-14-12-25(13-15-26)11-8-17-6-9-23-10-7-17/h1-7,9-10H,8,11-15H2.
What are the key properties of 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34925173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).