2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C15H15N5O2 — CID 2812130

IUPAC2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1
InChIInChI=1S/C15H15N5O2/c1-11-9-13(18-22-11)15(21)20-7-5-19(6-8-20)14-12(10-16)3-2-4-17-14/h2-4,9H,5-8H2,1H3
InChIKeyNQIZQKXPFYNOGE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.21
Rot. Bonds2

About 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 2812130) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID2812130
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1
InChIInChI=1S/C15H15N5O2/c1-11-9-13(18-22-11)15(21)20-7-5-19(6-8-20)14-12(10-16)3-2-4-17-14/h2-4,9H,5-8H2,1H3
InChIKeyNQIZQKXPFYNOGE-UHFFFAOYSA-N
XLogP1.21
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 2812130) is 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1.
What is the InChIKey of 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NQIZQKXPFYNOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-11-9-13(18-22-11)15(21)20-7-5-19(6-8-20)14-12(10-16)3-2-4-17-14/h2-4,9H,5-8H2,1H3.
What are the key properties of 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 2812130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).