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

C16H24N6O2 — CID 155265603

IUPAC2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCC(Cc3noc(N4CCNCC4)n3)CC2)o1
InChIInChI=1S/C16H24N6O2/c1-11-19-20-15(23-11)13-4-2-12(3-5-13)10-14-18-16(24-21-14)22-8-6-17-7-9-22/h12-13,17H,2-10H2,1H3
InChIKeyKKLHRLKVKGTIGE-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.69
Rot. Bonds4

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

2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole (PubChem CID 155265603) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole
PubChem CID155265603
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCC(Cc3noc(N4CCNCC4)n3)CC2)o1
InChIInChI=1S/C16H24N6O2/c1-11-19-20-15(23-11)13-4-2-12(3-5-13)10-14-18-16(24-21-14)22-8-6-17-7-9-22/h12-13,17H,2-10H2,1H3
InChIKeyKKLHRLKVKGTIGE-UHFFFAOYSA-N
XLogP1.69
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole
CID 118396397
5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole
CID 118396401
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 118396424
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;propane
CID 153404775
5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
3-(cyclopropylmethyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781083
3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 143714165
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 144584671
5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 146133631
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole (CID 155265603) is 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole is Cc1nnc(C2CCC(Cc3noc(N4CCNCC4)n3)CC2)o1.
What is the InChIKey of 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole?
The InChIKey is KKLHRLKVKGTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-19-20-15(23-11)13-4-2-12(3-5-13)10-14-18-16(24-21-14)22-8-6-17-7-9-22/h12-13,17H,2-10H2,1H3.
What are the key properties of 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole?
2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole has a molecular weight of 332.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155265603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).