2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol

C15H21FN4O2 — CID 143127635

IUPAC2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)(O)C1N=C(c2ccc(F)c(N3CCNCC3)c2)NO1
InChIInChI=1S/C15H21FN4O2/c1-15(2,21)14-18-13(19-22-14)10-3-4-11(16)12(9-10)20-7-5-17-6-8-20/h3-4,9,14,17,21H,5-8H2,1-2H3,(H,18,19)
InChIKeyKXJSTQSZTVZVMQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.61
Rot. Bonds3

About 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol

2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 143127635) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID143127635
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)(O)C1N=C(c2ccc(F)c(N3CCNCC3)c2)NO1
InChIInChI=1S/C15H21FN4O2/c1-15(2,21)14-18-13(19-22-14)10-3-4-11(16)12(9-10)20-7-5-17-6-8-20/h3-4,9,14,17,21H,5-8H2,1-2H3,(H,18,19)
InChIKeyKXJSTQSZTVZVMQ-UHFFFAOYSA-N
XLogP0.61
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 143127635) is 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(C)(O)C1N=C(c2ccc(F)c(N3CCNCC3)c2)NO1.
What is the InChIKey of 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is KXJSTQSZTVZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-15(2,21)14-18-13(19-22-14)10-3-4-11(16)12(9-10)20-7-5-17-6-8-20/h3-4,9,14,17,21H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 308.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-piperazin-1-ylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 143127635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).