1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol

C22H25FN4O3 — CID 86895568

IUPAC1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H25FN4O3/c23-18-8-6-17(7-9-18)22-25-24-21(30-22)15-27-12-10-26(11-13-27)14-19(28)16-29-20-4-2-1-3-5-20/h1-9,19,28H,10-16H2
InChIKeyWRFROAOUDDKIPR-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.43
Rot. Bonds8

About 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol

1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 86895568) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID86895568
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H25FN4O3/c23-18-8-6-17(7-9-18)22-25-24-21(30-22)15-27-12-10-26(11-13-27)14-19(28)16-29-20-4-2-1-3-5-20/h1-9,19,28H,10-16H2
InChIKeyWRFROAOUDDKIPR-UHFFFAOYSA-N
XLogP2.43
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 4206507
(2S)-1-[4-[(2S)-2-hydroxy-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propyl]piperazin-1-yl]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 34175570
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78896865
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 5298503

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (CID 86895568) is 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is WRFROAOUDDKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-18-8-6-17(7-9-18)22-25-24-21(30-22)15-27-12-10-26(11-13-27)14-19(28)16-29-20-4-2-1-3-5-20/h1-9,19,28H,10-16H2.
What are the key properties of 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 412.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 86895568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).