3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C21H23N3O2 — CID 95829995

IUPAC3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@@H]3CCN(CCc4ccccc4)C3)n2)c1
InChIInChI=1S/C21H23N3O2/c1-25-19-9-5-8-17(14-19)20-22-21(26-23-20)18-11-13-24(15-18)12-10-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3/t18-/m1/s1
InChIKeySXOFTQNAYDPANS-GOSISDBHSA-N
MW349.43 g/mol
LogP3.78
Rot. Bonds6

About 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95829995) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID95829995
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@@H]3CCN(CCc4ccccc4)C3)n2)c1
InChIInChI=1S/C21H23N3O2/c1-25-19-9-5-8-17(14-19)20-22-21(26-23-20)18-11-13-24(15-18)12-10-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3/t18-/m1/s1
InChIKeySXOFTQNAYDPANS-GOSISDBHSA-N
XLogP3.78
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110259408
5-[1-(2-phenylethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 110091594
3-(3-methoxyphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110259393
3-(3-methoxyphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 118742065
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
5-[1-(2-phenoxyethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 110259448
N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 125001869
5-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 95830030
2-(3-methoxyphenyl)-1-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 1454443
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574707
5-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574708

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 95829995) is 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is COc1cccc(-c2noc([C@@H]3CCN(CCc4ccccc4)C3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is SXOFTQNAYDPANS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-19-9-5-8-17(14-19)20-22-21(26-23-20)18-11-13-24(15-18)12-10-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3/t18-/m1/s1.
What are the key properties of 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 349.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95829995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).