1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

C17H18ClFN4O4 — CID 156611304

IUPAC1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc(C2CN(C(=O)Cc3c(F)cccc3Cl)CC2C(N)=O)n1
InChIInChI=1S/C17H18ClFN4O4/c1-26-8-14-21-17(27-22-14)11-7-23(6-10(11)16(20)25)15(24)5-9-12(18)3-2-4-13(9)19/h2-4,10-11H,5-8H2,1H3,(H2,20,25)
InChIKeyZGBOXYSUJLTFEC-UHFFFAOYSA-N
MW396.81 g/mol
LogP1.28
Rot. Bonds6

About 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 156611304) has the molecular formula C17H18ClFN4O4 and a molecular weight of 396.81 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID156611304
Molecular FormulaC17H18ClFN4O4
Molecular Weight396.81 g/mol
Exact Mass396.10
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc(C2CN(C(=O)Cc3c(F)cccc3Cl)CC2C(N)=O)n1
InChIInChI=1S/C17H18ClFN4O4/c1-26-8-14-21-17(27-22-14)11-7-23(6-10(11)16(20)25)15(24)5-9-12(18)3-2-4-13(9)19/h2-4,10-11H,5-8H2,1H3,(H2,20,25)
InChIKeyZGBOXYSUJLTFEC-UHFFFAOYSA-N
XLogP1.28
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
CID 156611313
(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923274
2-(2-chloro-6-fluorophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 39807762
(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
CID 91923307
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 43596096
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923276
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 91911139
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 129417108
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 114960452
2-(2-chloro-6-fluorophenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155503636
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (CID 156611304) is 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is COCc1noc(C2CN(C(=O)Cc3c(F)cccc3Cl)CC2C(N)=O)n1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is ZGBOXYSUJLTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O4/c1-26-8-14-21-17(27-22-14)11-7-23(6-10(11)16(20)25)15(24)5-9-12(18)3-2-4-13(9)19/h2-4,10-11H,5-8H2,1H3,(H2,20,25).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 156611304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).