2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C14H19N5O2 — CID 137011859

IUPAC2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCN1CCN(C)C(Cc2noc(-c3ncccc3O)n2)C1
InChIInChI=1S/C14H19N5O2/c1-18-6-7-19(2)10(9-18)8-12-16-14(21-17-12)13-11(20)4-3-5-15-13/h3-5,10,20H,6-9H2,1-2H3
InChIKeyKFJQIEDNKOFUJP-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.63
Rot. Bonds3

About 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol

2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 137011859) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID137011859
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCN1CCN(C)C(Cc2noc(-c3ncccc3O)n2)C1
InChIInChI=1S/C14H19N5O2/c1-18-6-7-19(2)10(9-18)8-12-16-14(21-17-12)13-11(20)4-3-5-15-13/h3-5,10,20H,6-9H2,1-2H3
InChIKeyKFJQIEDNKOFUJP-UHFFFAOYSA-N
XLogP0.63
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol with MolForge

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Related Compounds

3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414351
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 115415927
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414316
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950378
(3S,5S)-5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912482
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115415952
5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846782

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 137011859) is 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is CN1CCN(C)C(Cc2noc(-c3ncccc3O)n2)C1.
What is the InChIKey of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is KFJQIEDNKOFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-6-7-19(2)10(9-18)8-12-16-14(21-17-12)13-11(20)4-3-5-15-13/h3-5,10,20H,6-9H2,1-2H3.
What are the key properties of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 289.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137011859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).