2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C17H23N5O — CID 56790991

IUPAC2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(Cc3nnc(C4CC4)o3)C(C)C2)n1
InChIInChI=1S/C17H23N5O/c1-12-4-3-5-15(18-12)22-9-8-21(13(2)10-22)11-16-19-20-17(23-16)14-6-7-14/h3-5,13-14H,6-11H2,1-2H3
InChIKeyCYGAUNQOCONQAH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.36
Rot. Bonds4

About 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 56790991) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID56790991
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(Cc3nnc(C4CC4)o3)C(C)C2)n1
InChIInChI=1S/C17H23N5O/c1-12-4-3-5-15(18-12)22-9-8-21(13(2)10-22)11-16-19-20-17(23-16)14-6-7-14/h3-5,13-14H,6-11H2,1-2H3
InChIKeyCYGAUNQOCONQAH-UHFFFAOYSA-N
XLogP2.36
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

US11584747, Example 367
CID 156114475
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 56778171
2-Propan-2-yl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56429865
2-Methyl-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 56817339
2-methyl-5-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95579459
2-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95579460
N-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyridin-2-amine
CID 163345503
1-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-fluoropyridin-2-yl)piperazine
CID 171999803
2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-fluoropyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 172900784
1-(6-Fluoropyridin-2-yl)-2-methyl-4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine
CID 172904921
4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(6-fluoropyridin-2-yl)-2-methylpiperazine
CID 172904930
1-{[5-(Methoxymethyl)-1,3,4-oxadiazol-2-yl]carbonyl}-4-(6-methylpyridin-2-yl)piperazine
CID 56868267

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 56790991) is 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cccc(N2CCN(Cc3nnc(C4CC4)o3)C(C)C2)n1.
What is the InChIKey of 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CYGAUNQOCONQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-4-3-5-15(18-12)22-9-8-21(13(2)10-22)11-16-19-20-17(23-16)14-6-7-14/h3-5,13-14H,6-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56790991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).