3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H19N3O2 — CID 63720028

IUPAC3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(C3CNCC3C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-10-8-16-9-13(10)15-17-14(18-20-15)7-11-4-3-5-12(6-11)19-2/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyLCAXEHCXJGXTAX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds4

About 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63720028) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63720028
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(C3CNCC3C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-10-8-16-9-13(10)15-17-14(18-20-15)7-11-4-3-5-12(6-11)19-2/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyLCAXEHCXJGXTAX-UHFFFAOYSA-N
XLogP1.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)methyl]-5-[(3S,4S)-4-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 98538090
3-[(3-methoxyphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780842
5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350964
(3S,5S)-5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912207
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031999
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carbonitrile
CID 106524108
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
3-(2,2-dimethylpropyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63891700
3-[(3-methylphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780864

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63720028) is 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is COc1cccc(Cc2noc(C3CNCC3C)n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is LCAXEHCXJGXTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-16-9-13(10)15-17-14(18-20-15)7-11-4-3-5-12(6-11)19-2/h3-6,10,13,16H,7-9H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63720028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).