4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile

C15H17N5O2 — CID 155249642

IUPAC4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(CN3CCNCC3)on2)ncc1C#N
InChIInChI=1S/C15H17N5O2/c1-21-15-7-13(18-9-11(15)8-16)14-6-12(22-19-14)10-20-4-2-17-3-5-20/h6-7,9,17H,2-5,10H2,1H3
InChIKeyFYTSHIKUOPCWIK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.02
Rot. Bonds4

About 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile

4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile (PubChem CID 155249642) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile
PubChem CID155249642
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(CN3CCNCC3)on2)ncc1C#N
InChIInChI=1S/C15H17N5O2/c1-21-15-7-13(18-9-11(15)8-16)14-6-12(22-19-14)10-20-4-2-17-3-5-20/h6-7,9,17H,2-5,10H2,1H3
InChIKeyFYTSHIKUOPCWIK-UHFFFAOYSA-N
XLogP1.02
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
CID 59568649
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 96621570
3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196786
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196789
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 91839218
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120754170
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(3-piperazin-1-ylprop-1-ynyl)quinoline-3-carbonitrile
CID 90213024
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 166906205

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile (CID 155249642) is 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile is COc1cc(-c2cc(CN3CCNCC3)on2)ncc1C#N.
What is the InChIKey of 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile?
The InChIKey is FYTSHIKUOPCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-21-15-7-13(18-9-11(15)8-16)14-6-12(22-19-14)10-20-4-2-17-3-5-20/h6-7,9,17H,2-5,10H2,1H3.
What are the key properties of 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile?
4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155249642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).