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

C13H15N3O2 — CID 22308656

IUPAC2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(C2CCCN2)o1
InChIInChI=1S/C13H15N3O2/c1-17-11-7-3-2-5-9(11)12-15-16-13(18-12)10-6-4-8-14-10/h2-3,5,7,10,14H,4,6,8H2,1H3
InChIKeyAPOUTMYOUATGKW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.17
Rot. Bonds3

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

2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 22308656) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID22308656
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(C2CCCN2)o1
InChIInChI=1S/C13H15N3O2/c1-17-11-7-3-2-5-9(11)12-15-16-13(18-12)10-6-4-8-14-10/h2-3,5,7,10,14H,4,6,8H2,1H3
InChIKeyAPOUTMYOUATGKW-UHFFFAOYSA-N
XLogP2.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
CID 46785770
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
CID 115069875
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
2-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308659
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 22308656) is 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole is COc1ccccc1-c1nnc(C2CCCN2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is APOUTMYOUATGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-11-7-3-2-5-9(11)12-15-16-13(18-12)10-6-4-8-14-10/h2-3,5,7,10,14H,4,6,8H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 245.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 22308656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).