1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol

C17H23N3O3 — CID 154751343

IUPAC1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2Cc2noc(C)n2)cc1
InChIInChI=1S/C17H23N3O3/c1-12-18-16(19-23-12)11-20-10-4-5-15(20)17(2,21)13-6-8-14(22-3)9-7-13/h6-9,15,21H,4-5,10-11H2,1-3H3
InChIKeyVRPOFRDXXLXTCY-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol

1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol (PubChem CID 154751343) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
PubChem CID154751343
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2Cc2noc(C)n2)cc1
InChIInChI=1S/C17H23N3O3/c1-12-18-16(19-23-12)11-20-10-4-5-15(20)17(2,21)13-6-8-14(22-3)9-7-13/h6-9,15,21H,4-5,10-11H2,1-3H3
InChIKeyVRPOFRDXXLXTCY-UHFFFAOYSA-N
XLogP2.26
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol with MolForge

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Related Compounds

5-{[2-(3-Methoxyphenyl)pyrrolidin-1-yl]methyl}-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 16188173
3-Cyclopropyl-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42945402
3-Benzyl-5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45897869
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779667
N-[2-(3-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 71880696
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149498
1-[4,4-Difluoro-2-(3-methyl-1,2,4-oxadiazol-5-YL)pyrrolidin-1-YL]-3-(4-methoxyphenyl)propan-1-one
CID 110203169
5-[1-[(4-Methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53192036
3-(4-Methoxyphenyl)-8-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 46950940
(1R,5S)-3-(4-methoxyphenyl)-8-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 52471664
5-[[2-[(3-Fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78898931
(1S,5S)-3-(4-methoxyphenyl)-8-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98115681

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol (CID 154751343) is 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol is COc1ccc(C(C)(O)C2CCCN2Cc2noc(C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is VRPOFRDXXLXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-18-16(19-23-12)11-20-10-4-5-15(20)17(2,21)13-6-8-14(22-3)9-7-13/h6-9,15,21H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol?
1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 317.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 154751343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).