3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol

C19H26FN3O2 — CID 95353156

IUPAC3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(-c2noc(CCCN3CCC[C@H]3CCCO)n2)cc1F
InChIInChI=1S/C19H26FN3O2/c1-14-8-9-15(13-17(14)20)19-21-18(25-22-19)7-3-11-23-10-2-5-16(23)6-4-12-24/h8-9,13,16,24H,2-7,10-12H2,1H3/t16-/m0/s1
InChIKeyPOKOLNYNYPLKNS-INIZCTEOSA-N
MW347.43 g/mol
LogP3.35
Rot. Bonds8

About 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol

3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 95353156) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID95353156
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(-c2noc(CCCN3CCC[C@H]3CCCO)n2)cc1F
InChIInChI=1S/C19H26FN3O2/c1-14-8-9-15(13-17(14)20)19-21-18(25-22-19)7-3-11-23-10-2-5-16(23)6-4-12-24/h8-9,13,16,24H,2-7,10-12H2,1H3/t16-/m0/s1
InChIKeyPOKOLNYNYPLKNS-INIZCTEOSA-N
XLogP3.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol (CID 95353156) is 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccc(-c2noc(CCCN3CCC[C@H]3CCCO)n2)cc1F.
What is the InChIKey of 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is POKOLNYNYPLKNS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14-8-9-15(13-17(14)20)19-21-18(25-22-19)7-3-11-23-10-2-5-16(23)6-4-12-24/h8-9,13,16,24H,2-7,10-12H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol?
3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 347.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 95353156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).