2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile

C11H14N4O — CID 28819363

IUPAC2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCNCC1
InChIInChI=1S/C11H14N4O/c12-7-9-11(15-5-3-13-4-6-15)16-10(14-9)8-1-2-8/h8,13H,1-6H2
InChIKeyJLLXXMHLWVMUBP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds2

About 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile

2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 28819363) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID28819363
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCNCC1
InChIInChI=1S/C11H14N4O/c12-7-9-11(15-5-3-13-4-6-15)16-10(14-9)8-1-2-8/h8,13H,1-6H2
InChIKeyJLLXXMHLWVMUBP-UHFFFAOYSA-N
XLogP0.83
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile (CID 28819363) is 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCNCC1.
What is the InChIKey of 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is JLLXXMHLWVMUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-7-9-11(15-5-3-13-4-6-15)16-10(14-9)8-1-2-8/h8,13H,1-6H2.
What are the key properties of 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 28819363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).