2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile

C17H21N5O — CID 136519023

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(Cc3c(C)noc3C)CC2)n1
InChIInChI=1S/C17H21N5O/c1-12-4-5-15(10-18)17(19-12)22-8-6-21(7-9-22)11-16-13(2)20-23-14(16)3/h4-5H,6-9,11H2,1-3H3
InChIKeyOXUHIHLTJBOFSV-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 136519023) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID136519023
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(Cc3c(C)noc3C)CC2)n1
InChIInChI=1S/C17H21N5O/c1-12-4-5-15(10-18)17(19-12)22-8-6-21(7-9-22)11-16-13(2)20-23-14(16)3/h4-5H,6-9,11H2,1-3H3
InChIKeyOXUHIHLTJBOFSV-UHFFFAOYSA-N
XLogP2.19
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile (CID 136519023) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCN(Cc3c(C)noc3C)CC2)n1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is OXUHIHLTJBOFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-4-5-15(10-18)17(19-12)22-8-6-21(7-9-22)11-16-13(2)20-23-14(16)3/h4-5H,6-9,11H2,1-3H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 136519023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).