3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

C17H23N3O — CID 63144833

IUPAC3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3ccccc3C)no2)CCNC1
InChIInChI=1S/C17H23N3O/c1-3-8-17(9-10-18-12-17)16-19-15(20-21-16)11-14-7-5-4-6-13(14)2/h4-7,18H,3,8-12H2,1-2H3
InChIKeyQVBFMUOLUKYBJO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds5

About 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63144833) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63144833
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3ccccc3C)no2)CCNC1
InChIInChI=1S/C17H23N3O/c1-3-8-17(9-10-18-12-17)16-19-15(20-21-16)11-14-7-5-4-6-13(14)2/h4-7,18H,3,8-12H2,1-2H3
InChIKeyQVBFMUOLUKYBJO-UHFFFAOYSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 63138318
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-[(2-methylphenyl)methyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63124252
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145200
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144516
5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125802

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63144833) is 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(Cc3ccccc3C)no2)CCNC1.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QVBFMUOLUKYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-17(9-10-18-12-17)16-19-15(20-21-16)11-14-7-5-4-6-13(14)2/h4-7,18H,3,8-12H2,1-2H3.
What are the key properties of 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 285.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63144833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).