2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole

C16H22FN5O — CID 154567781

IUPAC2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole
SMILESCC1CN(c2nnc(C(C)(C)C)o2)CCN1c1ccc(F)cn1
InChIInChI=1S/C16H22FN5O/c1-11-10-21(15-20-19-14(23-15)16(2,3)4)7-8-22(11)13-6-5-12(17)9-18-13/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyMDCWJWKELGLGNK-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.62
Rot. Bonds2

About 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole

2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole (PubChem CID 154567781) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole
PubChem CID154567781
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole
SMILESCC1CN(c2nnc(C(C)(C)C)o2)CCN1c1ccc(F)cn1
InChIInChI=1S/C16H22FN5O/c1-11-10-21(15-20-19-14(23-15)16(2,3)4)7-8-22(11)13-6-5-12(17)9-18-13/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyMDCWJWKELGLGNK-UHFFFAOYSA-N
XLogP2.62
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole (CID 154567781) is 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole is CC1CN(c2nnc(C(C)(C)C)o2)CCN1c1ccc(F)cn1.
What is the InChIKey of 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole?
The InChIKey is MDCWJWKELGLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-11-10-21(15-20-19-14(23-15)16(2,3)4)7-8-22(11)13-6-5-12(17)9-18-13/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole has a molecular weight of 319.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154567781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).