(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol

C16H21N3O2 — CID 70726722

IUPAC(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(c2noc(-c3ccccc3)n2)C[C@H]1C
InChIInChI=1S/C16H21N3O2/c1-11(2)16(20)10-19(9-12(16)3)15-17-14(21-18-15)13-7-5-4-6-8-13/h4-8,11-12,20H,9-10H2,1-3H3/t12-,16-/m1/s1
InChIKeyOSOGTMXJXDWIQF-MLGOLLRUSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds3

About (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol

(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 70726722) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol
PubChem CID70726722
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(c2noc(-c3ccccc3)n2)C[C@H]1C
InChIInChI=1S/C16H21N3O2/c1-11(2)16(20)10-19(9-12(16)3)15-17-14(21-18-15)13-7-5-4-6-8-13/h4-8,11-12,20H,9-10H2,1-3H3/t12-,16-/m1/s1
InChIKeyOSOGTMXJXDWIQF-MLGOLLRUSA-N
XLogP2.58
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
(1R,2S,3R,4R)-1-(hydroxymethyl)-2-phenyl-6-(5-phenyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.4]heptan-4-ol
CID 155498622
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 133483568
[(3R)-3-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methanol
CID 95223927
(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 133121479
1-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139599368
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70726029
6-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxamide
CID 91651046

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol (CID 70726722) is (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol is CC(C)[C@]1(O)CN(c2noc(-c3ccccc3)n2)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is OSOGTMXJXDWIQF-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)16(20)10-19(9-12(16)3)15-17-14(21-18-15)13-7-5-4-6-8-13/h4-8,11-12,20H,9-10H2,1-3H3/t12-,16-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol?
(3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 287.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 70726722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).