1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

C20H25N3O3 — CID 110203015

IUPAC1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C20H25N3O3/c1-13-5-3-4-6-15(13)9-18(24)23-10-16(12-25-2)17(11-23)20-21-19(22-26-20)14-7-8-14/h3-6,14,16-17H,7-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyNWRZONKPKQNUBA-DLBZAZTESA-N
MW355.44 g/mol
LogP2.69
Rot. Bonds6

About 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 110203015) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID110203015
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C20H25N3O3/c1-13-5-3-4-6-15(13)9-18(24)23-10-16(12-25-2)17(11-23)20-21-19(22-26-20)14-7-8-14/h3-6,14,16-17H,7-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyNWRZONKPKQNUBA-DLBZAZTESA-N
XLogP2.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone (CID 110203015) is 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone is COC[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is NWRZONKPKQNUBA-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-5-3-4-6-15(13)9-18(24)23-10-16(12-25-2)17(11-23)20-21-19(22-26-20)14-7-8-14/h3-6,14,16-17H,7-12H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 110203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).