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

C16H20FN5O — CID 172904930

IUPAC2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC1CN(Cc2nnc(C3CC3)o2)CCN1c1cccc(F)n1
InChIInChI=1S/C16H20FN5O/c1-11-9-21(10-15-19-20-16(23-15)12-5-6-12)7-8-22(11)14-4-2-3-13(17)18-14/h2-4,11-12H,5-10H2,1H3
InChIKeyWMZBTGMGTOAOEI-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.19
Rot. Bonds4

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

2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 172904930) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID172904930
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC1CN(Cc2nnc(C3CC3)o2)CCN1c1cccc(F)n1
InChIInChI=1S/C16H20FN5O/c1-11-9-21(10-15-19-20-16(23-15)12-5-6-12)7-8-22(11)14-4-2-3-13(17)18-14/h2-4,11-12H,5-10H2,1H3
InChIKeyWMZBTGMGTOAOEI-UHFFFAOYSA-N
XLogP2.19
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 56778171
2-Methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 45797141
2-Cyclopropyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 47522195
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
1-(Pyridin-2-yl)-4-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}azetidin-3-yl)piperazine
CID 126893457
2-Ethyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 133771584
4-(5-Tert-butyl-1,3,4-oxadiazol-2-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine
CID 154567781
N-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyridin-2-amine
CID 163345503
N-[5-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyridin-2-yl]cyclopropanecarboxamide
CID 163356553

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 172904930) is 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is CC1CN(Cc2nnc(C3CC3)o2)CCN1c1cccc(F)n1.
What is the InChIKey of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is WMZBTGMGTOAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-11-9-21(10-15-19-20-16(23-15)12-5-6-12)7-8-22(11)14-4-2-3-13(17)18-14/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 317.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 172904930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).