[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol

C15H19N3O3 — CID 128975816

IUPAC[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(c2nc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C15H19N3O3/c1-10-3-5-11(6-4-10)14-16-15(21-17-14)18-8-13(20-2)7-12(18)9-19/h3-6,12-13,19H,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyHMCHPRCKUMADSX-STQMWFEESA-N
MW289.33 g/mol
LogP1.63
Rot. Bonds4

About [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol

[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 128975816) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
PubChem CID128975816
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(c2nc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C15H19N3O3/c1-10-3-5-11(6-4-10)14-16-15(21-17-14)18-8-13(20-2)7-12(18)9-19/h3-6,12-13,19H,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyHMCHPRCKUMADSX-STQMWFEESA-N
XLogP1.63
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978147
[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
CID 128979619
[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978432
3-(4-methylphenyl)-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,2,4-oxadiazole
CID 133465315
[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128970907
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
CID 75448602
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 128982599
[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 167968989
5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 167878467
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 133486075

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol (CID 128975816) is [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol is CO[C@H]1C[C@@H](CO)N(c2nc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is HMCHPRCKUMADSX-STQMWFEESA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-3-5-11(6-4-10)14-16-15(21-17-14)18-8-13(20-2)7-12(18)9-19/h3-6,12-13,19H,7-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol?
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128975816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).