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

C18H24N4O2 — CID 70726029

IUPAC[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1CN1CCCC1
InChIInChI=1S/C18H24N4O2/c23-13-16-12-22(11-15(16)10-21-8-4-5-9-21)18-19-17(24-20-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2/t15-,16-/m1/s1
InChIKeyDOIZVQHJUDDOCC-HZPDHXFCSA-N
MW328.42 g/mol
LogP1.88
Rot. Bonds5

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

[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70726029) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70726029
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1CN1CCCC1
InChIInChI=1S/C18H24N4O2/c23-13-16-12-22(11-15(16)10-21-8-4-5-9-21)18-19-17(24-20-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2/t15-,16-/m1/s1
InChIKeyDOIZVQHJUDDOCC-HZPDHXFCSA-N
XLogP1.88
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4S)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 133128773
(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
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 156607349
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
[(3R,4R)-1-(1,3-benzothiazol-2-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70734178
(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,4S)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 133122748
N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
CID 133482888

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70726029) is [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1CN1CCCC1.
What is the InChIKey of [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is DOIZVQHJUDDOCC-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-13-16-12-22(11-15(16)10-21-8-4-5-9-21)18-19-17(24-20-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70726029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).