1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile

C10H14N4O — CID 79085339

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
SMILESCc1cc(CN2CCNCC2C#N)on1
InChIInChI=1S/C10H14N4O/c1-8-4-10(15-13-8)7-14-3-2-12-6-9(14)5-11/h4,9,12H,2-3,6-7H2,1H3
InChIKeyBYUIYISYGBIOCR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.28
Rot. Bonds2

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile

1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile (PubChem CID 79085339) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
PubChem CID79085339
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
SMILESCc1cc(CN2CCNCC2C#N)on1
InChIInChI=1S/C10H14N4O/c1-8-4-10(15-13-8)7-14-3-2-12-6-9(14)5-11/h4,9,12H,2-3,6-7H2,1H3
InChIKeyBYUIYISYGBIOCR-UHFFFAOYSA-N
XLogP0.28
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile (CID 79085339) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile is Cc1cc(CN2CCNCC2C#N)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is BYUIYISYGBIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8-4-10(15-13-8)7-14-3-2-12-6-9(14)5-11/h4,9,12H,2-3,6-7H2,1H3.
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).