methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate

C17H21N3O3 — CID 166622284

IUPACmethyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC2CCN(c3noc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-18-17(19-23-12)20-8-7-15(11-20)9-13-3-5-14(6-4-13)10-16(21)22-2/h3-6,15H,7-11H2,1-2H3
InChIKeyYDCSPEUSVVKUEF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate

methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate (PubChem CID 166622284) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate
PubChem CID166622284
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC2CCN(c3noc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-18-17(19-23-12)20-8-7-15(11-20)9-13-3-5-14(6-4-13)10-16(21)22-2/h3-6,15H,7-11H2,1-2H3
InChIKeyYDCSPEUSVVKUEF-UHFFFAOYSA-N
XLogP2.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate 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

methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
3-[(4-benzylpiperidin-1-yl)methyl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
CID 155496387
methyl 2-[4-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]phenyl]acetate;hydrochloride
CID 171711182
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 91797759
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
CID 56705345
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170072
N-[(4S,5R)-5-hydroxy-4-methyl-9-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 166616434
methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
CID 176501074
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009872
3-(4-methoxyphenyl)-1-[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]propan-1-one
CID 164634529

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate (CID 166622284) is methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate is COC(=O)Cc1ccc(CC2CCN(c3noc(C)n3)C2)cc1.
What is the InChIKey of methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate?
The InChIKey is YDCSPEUSVVKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-18-17(19-23-12)20-8-7-15(11-20)9-13-3-5-14(6-4-13)10-16(21)22-2/h3-6,15H,7-11H2,1-2H3.
What are the key properties of methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate?
methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate has a molecular weight of 315.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]methyl]phenyl]acetate is sourced from PubChem (CID 166622284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).