5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole

C23H27N3O2 — CID 69359265

IUPAC5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole
SMILESCCCOC1CCN(Cc2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)C1
InChIInChI=1S/C23H27N3O2/c1-3-14-27-22-12-13-26(16-22)15-18-4-6-19(7-5-18)20-8-10-21(11-9-20)23-24-17(2)28-25-23/h4-11,22H,3,12-16H2,1-2H3
InChIKeyGEMAVZIZTRKCKU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.71
Rot. Bonds7

About 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole

5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole (PubChem CID 69359265) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole
PubChem CID69359265
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole
SMILESCCCOC1CCN(Cc2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)C1
InChIInChI=1S/C23H27N3O2/c1-3-14-27-22-12-13-26(16-22)15-18-4-6-19(7-5-18)20-8-10-21(11-9-20)23-24-17(2)28-25-23/h4-11,22H,3,12-16H2,1-2H3
InChIKeyGEMAVZIZTRKCKU-UHFFFAOYSA-N
XLogP4.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680
[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol
CID 11523409
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
5-[(3S)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849685

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole (CID 69359265) is 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole is CCCOC1CCN(Cc2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)C1.
What is the InChIKey of 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is GEMAVZIZTRKCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-14-27-22-12-13-26(16-22)15-18-4-6-19(7-5-18)20-8-10-21(11-9-20)23-24-17(2)28-25-23/h4-11,22H,3,12-16H2,1-2H3.
What are the key properties of 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 377.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 69359265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).