3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one

C19H25N3O3 — CID 164634529

IUPAC3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC[C@H](CCc3noc(C)n3)C2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-20-18(21-25-14)9-5-16-11-12-22(13-16)19(23)10-6-15-3-7-17(24-2)8-4-15/h3-4,7-8,16H,5-6,9-13H2,1-2H3/t16-/m0/s1
InChIKeyQPNSVESBQUEVPG-INIZCTEOSA-N
MW343.43 g/mol
LogP2.80
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 164634529) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one
PubChem CID164634529
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC[C@H](CCc3noc(C)n3)C2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-20-18(21-25-14)9-5-16-11-12-22(13-16)19(23)10-6-15-3-7-17(24-2)8-4-15/h3-4,7-8,16H,5-6,9-13H2,1-2H3/t16-/m0/s1
InChIKeyQPNSVESBQUEVPG-INIZCTEOSA-N
XLogP2.80
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one 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-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114510009
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191
3-(4-methoxyphenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 71805517
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 25304662
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 55791592
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]propan-1-one
CID 110645900

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one (CID 164634529) is 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CC[C@H](CCc3noc(C)n3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is QPNSVESBQUEVPG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-20-18(21-25-14)9-5-16-11-12-22(13-16)19(23)10-6-15-3-7-17(24-2)8-4-15/h3-4,7-8,16H,5-6,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 164634529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).