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

C14H17N3O2 — CID 82665656

IUPAC2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(Cc2nnc(C3CCCN3)o2)c1
InChIInChI=1S/C14H17N3O2/c1-18-11-5-2-4-10(8-11)9-13-16-17-14(19-13)12-6-3-7-15-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3
InChIKeyGWLJOYMTVGQONC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds4

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

2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 82665656) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID82665656
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(Cc2nnc(C3CCCN3)o2)c1
InChIInChI=1S/C14H17N3O2/c1-18-11-5-2-4-10(8-11)9-13-16-17-14(19-13)12-6-3-7-15-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3
InChIKeyGWLJOYMTVGQONC-UHFFFAOYSA-N
XLogP2.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride
CID 75485547
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373
2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 58381514
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
2-[(3-methoxyphenyl)methyl]-5-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CID 73386635
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
2-benzylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 3571196
3-[(3-methoxyphenyl)methylsulfonyl]-4-(2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-triazole
CID 23936395

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 82665656) is 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole is COc1cccc(Cc2nnc(C3CCCN3)o2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is GWLJOYMTVGQONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-11-5-2-4-10(8-11)9-13-16-17-14(19-13)12-6-3-7-15-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 82665656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).