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

C14H17N3O — CID 63317314

IUPAC5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(C3CCCN3)no2)c1C
InChIInChI=1S/C14H17N3O/c1-9-5-3-6-11(10(9)2)14-16-13(17-18-14)12-7-4-8-15-12/h3,5-6,12,15H,4,7-8H2,1-2H3
InChIKeyYQEBHPCQJSCOGY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds2

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

5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317314) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317314
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(C3CCCN3)no2)c1C
InChIInChI=1S/C14H17N3O/c1-9-5-3-6-11(10(9)2)14-16-13(17-18-14)12-7-4-8-15-12/h3,5-6,12,15H,4,7-8H2,1-2H3
InChIKeyYQEBHPCQJSCOGY-UHFFFAOYSA-N
XLogP2.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-2-yl)-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 90422132
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
3-(azepan-2-yl)-5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 103972200
5-[2-(difluoromethoxy)phenyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317222
3-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 138691157
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458
5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 55023638
3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317314) is 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is Cc1cccc(-c2nc(C3CCCN3)no2)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is YQEBHPCQJSCOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-3-6-11(10(9)2)14-16-13(17-18-14)12-7-4-8-15-12/h3,5-6,12,15H,4,7-8H2,1-2H3.
What are the key properties of 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).