5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

C22H26N4O2 — CID 95896088

IUPAC5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESCOC[C@@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C22H26N4O2/c1-27-16-18-12-13-26(15-18)21-11-10-19(14-23-21)22-24-20(25-28-22)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15-16H2,1H3/t18-/m1/s1
InChIKeyFNMRZYHHGXKNAG-GOSISDBHSA-N
MW378.48 g/mol
LogP3.78
Rot. Bonds8

About 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 95896088) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
PubChem CID95896088
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESCOC[C@@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C22H26N4O2/c1-27-16-18-12-13-26(15-18)21-11-10-19(14-23-21)22-24-20(25-28-22)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15-16H2,1H3/t18-/m1/s1
InChIKeyFNMRZYHHGXKNAG-GOSISDBHSA-N
XLogP3.78
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025
[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 42458820
3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45226780
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 26402764
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 25378184
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 70755273

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole (CID 95896088) is 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole is COC[C@@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1.
What is the InChIKey of 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is FNMRZYHHGXKNAG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-27-16-18-12-13-26(15-18)21-11-10-19(14-23-21)22-24-20(25-28-22)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15-16H2,1H3/t18-/m1/s1.
What are the key properties of 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole?
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95896088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).