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

C19H18N6O — CID 91839218

IUPAC2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(Cc2cc(-c3cccnc3)no2)CC1
InChIInChI=1S/C19H18N6O/c20-12-15-3-2-6-22-19(15)25-9-7-24(8-10-25)14-17-11-18(23-26-17)16-4-1-5-21-13-16/h1-6,11,13H,7-10,14H2
InChIKeyXCDHYNOAIIKEHP-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.33
Rot. Bonds4

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

2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 91839218) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID91839218
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(Cc2cc(-c3cccnc3)no2)CC1
InChIInChI=1S/C19H18N6O/c20-12-15-3-2-6-22-19(15)25-9-7-24(8-10-25)14-17-11-18(23-26-17)16-4-1-5-21-13-16/h1-6,11,13H,7-10,14H2
InChIKeyXCDHYNOAIIKEHP-UHFFFAOYSA-N
XLogP2.33
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91839693
2-[4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126915561
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 10313814
2-[4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78829218
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276
2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031944
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
methyl 2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]benzoate
CID 122157758
2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031993

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 91839218) is 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(Cc2cc(-c3cccnc3)no2)CC1.
What is the InChIKey of 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XCDHYNOAIIKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-12-15-3-2-6-22-19(15)25-9-7-24(8-10-25)14-17-11-18(23-26-17)16-4-1-5-21-13-16/h1-6,11,13H,7-10,14H2.
What are the key properties of 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 91839218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).