[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol

C14H17N3O2 — CID 62046532

IUPAC[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c18-10-12-7-4-8-17(12)9-13-15-14(16-19-13)11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2/t12-/m1/s1
InChIKeyKXNVRCWORFOFIG-GFCCVEGCSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds4

About [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62046532) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62046532
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c18-10-12-7-4-8-17(12)9-13-15-14(16-19-13)11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2/t12-/m1/s1
InChIKeyKXNVRCWORFOFIG-GFCCVEGCSA-N
XLogP1.69
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817
[(2R)-1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111333291
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128986665
3-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 110918967
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62015735
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
3-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 110923448
5-[[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42096814

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol (CID 62046532) is [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is KXNVRCWORFOFIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-12-7-4-8-17(12)9-13-15-14(16-19-13)11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62046532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).