1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one

C20H21FN4O2 — CID 128993847

IUPAC1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1c1nnc(-c2ccccc2F)o1)n1cccc1
InChIInChI=1S/C20H21FN4O2/c1-14(24-11-6-7-12-24)20(26)25-13-5-4-10-17(25)19-23-22-18(27-19)15-8-2-3-9-16(15)21/h2-3,6-9,11-12,14,17H,4-5,10,13H2,1H3
InChIKeySAVWDUBIAMPCKI-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.99
Rot. Bonds4

About 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one

1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one (PubChem CID 128993847) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
PubChem CID128993847
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1c1nnc(-c2ccccc2F)o1)n1cccc1
InChIInChI=1S/C20H21FN4O2/c1-14(24-11-6-7-12-24)20(26)25-13-5-4-10-17(25)19-23-22-18(27-19)15-8-2-3-9-16(15)21/h2-3,6-9,11-12,14,17H,4-5,10,13H2,1H3
InChIKeySAVWDUBIAMPCKI-UHFFFAOYSA-N
XLogP3.99
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one (CID 128993847) is 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one is CC(C(=O)N1CCCCC1c1nnc(-c2ccccc2F)o1)n1cccc1.
What is the InChIKey of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
The InChIKey is SAVWDUBIAMPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14(24-11-6-7-12-24)20(26)25-13-5-4-10-17(25)19-23-22-18(27-19)15-8-2-3-9-16(15)21/h2-3,6-9,11-12,14,17H,4-5,10,13H2,1H3.
What are the key properties of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one has a molecular weight of 368.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 128993847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).