methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate

C17H20N2O3 — CID 50809341

IUPACmethyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCC2c2cc(C)on2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-10-15(18-22-12)16-4-3-9-19(16)11-13-5-7-14(8-6-13)17(20)21-2/h5-8,10,16H,3-4,9,11H2,1-2H3
InChIKeyAFVPJGJMSIHHSV-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.11
Rot. Bonds4

About methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate

methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate (PubChem CID 50809341) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
PubChem CID50809341
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCC2c2cc(C)on2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-10-15(18-22-12)16-4-3-9-19(16)11-13-5-7-14(8-6-13)17(20)21-2/h5-8,10,16H,3-4,9,11H2,1-2H3
InChIKeyAFVPJGJMSIHHSV-UHFFFAOYSA-N
XLogP3.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310
5-methyl-3-[1-[(4-propan-2-yloxyphenyl)methyl]azepan-2-yl]-1,2-oxazole
CID 110220454
2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
methyl 3-chloro-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]amino]benzoate
CID 97282371
3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732564
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate (CID 50809341) is methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCCC2c2cc(C)on2)cc1.
What is the InChIKey of methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate?
The InChIKey is AFVPJGJMSIHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-10-15(18-22-12)16-4-3-9-19(16)11-13-5-7-14(8-6-13)17(20)21-2/h5-8,10,16H,3-4,9,11H2,1-2H3.
What are the key properties of methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate?
methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate has a molecular weight of 300.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 50809341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).