2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C15H17N7O2 — CID 172671471

IUPAC2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1nonc1N1CCN(Cc2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C15H17N7O2/c1-11-14(20-24-19-11)22-7-5-21(6-8-22)10-13-17-18-15(23-13)12-3-2-4-16-9-12/h2-4,9H,5-8,10H2,1H3
InChIKeyKHLUEFXIQQKZRX-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.15
Rot. Bonds4

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

2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 172671471) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID172671471
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1nonc1N1CCN(Cc2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C15H17N7O2/c1-11-14(20-24-19-11)22-7-5-21(6-8-22)10-13-17-18-15(23-13)12-3-2-4-16-9-12/h2-4,9H,5-8,10H2,1H3
InChIKeyKHLUEFXIQQKZRX-UHFFFAOYSA-N
XLogP1.15
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 135106341
2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124751627
6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163308080
5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 133310455
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
2-[4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78829218
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 9254230
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33177843
4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]pyridin-3-amine
CID 90372714

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 172671471) is 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1nonc1N1CCN(Cc2nnc(-c3cccnc3)o2)CC1.
What is the InChIKey of 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is KHLUEFXIQQKZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-11-14(20-24-19-11)22-7-5-21(6-8-22)10-13-17-18-15(23-13)12-3-2-4-16-9-12/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 327.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 172671471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).