(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C21H20FN3O3 — CID 53039334

IUPAC(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1-c1noc(C2CCCN2C(=O)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C21H20FN3O3/c1-13-9-10-14(12-16(13)22)21(26)25-11-5-7-17(25)20-23-19(24-28-20)15-6-3-4-8-18(15)27-2/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3
InChIKeyAIVDVPOBBOVZPG-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.17
Rot. Bonds4

About (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 53039334) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID53039334
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1-c1noc(C2CCCN2C(=O)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C21H20FN3O3/c1-13-9-10-14(12-16(13)22)21(26)25-11-5-7-17(25)20-23-19(24-28-20)15-6-3-4-8-18(15)27-2/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3
InChIKeyAIVDVPOBBOVZPG-UHFFFAOYSA-N
XLogP4.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
N-(3,4-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039469
[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 90422950
[(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95057587
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584
1-[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 95057627
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355347
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 53039498
(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 95057959
(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057944
N-(2,3-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039468

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 53039334) is (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is COc1ccccc1-c1noc(C2CCCN2C(=O)c2ccc(C)c(F)c2)n1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is AIVDVPOBBOVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-9-10-14(12-16(13)22)21(26)25-11-5-7-17(25)20-23-19(24-28-20)15-6-3-4-8-18(15)27-2/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53039334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).