(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol

C19H24FN3O2 — CID 99106988

IUPAC(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H24FN3O2/c20-15-8-6-14(7-9-15)19-22-21-18(25-19)12-23-11-16(24)10-17(23)13-4-2-1-3-5-13/h6-9,13,16-17,24H,1-5,10-12H2/t16-,17+/m1/s1
InChIKeyQVUWMUQYNWYQRJ-SJORKVTESA-N
MW345.42 g/mol
LogP3.39
Rot. Bonds4

About (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol

(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 99106988) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID99106988
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H24FN3O2/c20-15-8-6-14(7-9-15)19-22-21-18(25-19)12-23-11-16(24)10-17(23)13-4-2-1-3-5-13/h6-9,13,16-17,24H,1-5,10-12H2/t16-,17+/m1/s1
InChIKeyQVUWMUQYNWYQRJ-SJORKVTESA-N
XLogP3.39
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312862
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
2-(4-fluorophenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609789
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
1-cyclohexyl-3-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321086
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
CID 80701819

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (CID 99106988) is (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is O[C@@H]1C[C@@H](C2CCCCC2)N(Cc2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is QVUWMUQYNWYQRJ-SJORKVTESA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-15-8-6-14(7-9-15)19-22-21-18(25-19)12-23-11-16(24)10-17(23)13-4-2-1-3-5-13/h6-9,13,16-17,24H,1-5,10-12H2/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 345.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 99106988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).