(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone

C19H15Cl2N3O2 — CID 129417298

IUPAC(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1
InChIInChI=1S/C19H15Cl2N3O2/c20-16-8-4-7-13(17(16)21)19(25)24-9-14(12-5-2-1-3-6-12)15(10-24)18-22-11-26-23-18/h1-8,11,14-15H,9-10H2/t14-,15-/m1/s1
InChIKeyNCKMBVJGNHCJLO-HUUCEWRRSA-N
MW388.25 g/mol
LogP4.40
Rot. Bonds3

About (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone

(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone (PubChem CID 129417298) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
PubChem CID129417298
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1
InChIInChI=1S/C19H15Cl2N3O2/c20-16-8-4-7-13(17(16)21)19(25)24-9-14(12-5-2-1-3-6-12)15(10-24)18-22-11-26-23-18/h1-8,11,14-15H,9-10H2/t14-,15-/m1/s1
InChIKeyNCKMBVJGNHCJLO-HUUCEWRRSA-N
XLogP4.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 121019739
(2,5-dimethylphenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124760633
(5-methyl-1,2-oxazol-3-yl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124761202
(5-methylthiophen-2-yl)-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124727923
4-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidine-1-carbonyl]benzonitrile
CID 129417421
1H-indol-6-yl-[(3S,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124760884
(1,1-dioxothiolan-3-yl)-[3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 121181568
2-(4-fluorophenyl)sulfanyl-1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]ethanone
CID 129417329
(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one
CID 129447752
2-(4-fluorophenyl)sulfanyl-1-[(3R,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]ethanone
CID 129417327
1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 129417124
3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 121019752

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone (CID 129417298) is (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone?
The InChIKey is NCKMBVJGNHCJLO-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-16-8-4-7-13(17(16)21)19(25)24-9-14(12-5-2-1-3-6-12)15(10-24)18-22-11-26-23-18/h1-8,11,14-15H,9-10H2/t14-,15-/m1/s1.
What are the key properties of (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone?
(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone has a molecular weight of 388.25 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 129417298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).