(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C16H19N3O2 — CID 128988584

IUPAC(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cccc(C)c3C)C2)n1
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-14(11(10)2)16(20)19-8-7-13(9-19)15-17-12(3)18-21-15/h4-6,13H,7-9H2,1-3H3
InChIKeyJJCLIRNDVGWRCE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.62
Rot. Bonds2

About (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 128988584) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID128988584
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cccc(C)c3C)C2)n1
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-14(11(10)2)16(20)19-8-7-13(9-19)15-17-12(3)18-21-15/h4-6,13H,7-9H2,1-3H3
InChIKeyJJCLIRNDVGWRCE-UHFFFAOYSA-N
XLogP2.62
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 128988519
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 129346774
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
[2-(2-methoxyethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129351811
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346800
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
(3-methoxy-4-methylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346819
(3-methoxy-4-methylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346818

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 128988584) is (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3cccc(C)c3C)C2)n1.
What is the InChIKey of (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JJCLIRNDVGWRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-4-6-14(11(10)2)16(20)19-8-7-13(9-19)15-17-12(3)18-21-15/h4-6,13H,7-9H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128988584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).