methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate

C15H20N4O4 — CID 70706146

IUPACmethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2CCCC2c2nc(C(C)C)no2)n1
InChIInChI=1S/C15H20N4O4/c1-9(2)13-17-14(23-18-13)11-5-4-6-19(11)7-12-16-10(8-22-12)15(20)21-3/h8-9,11H,4-7H2,1-3H3
InChIKeyJZILHNCDKODXGC-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.30
Rot. Bonds5

About methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 70706146) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
PubChem CID70706146
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Namemethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2CCCC2c2nc(C(C)C)no2)n1
InChIInChI=1S/C15H20N4O4/c1-9(2)13-17-14(23-18-13)11-5-4-6-19(11)7-12-16-10(8-22-12)15(20)21-3/h8-9,11H,4-7H2,1-3H3
InChIKeyJZILHNCDKODXGC-UHFFFAOYSA-N
XLogP2.30
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95200637
N-methyl-3-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91838252
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
CID 53191881
ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 70747823
2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 70704685
5-cyclopropyl-3-[(2R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780252
5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95133379
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate (CID 70706146) is methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN2CCCC2c2nc(C(C)C)no2)n1.
What is the InChIKey of methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is JZILHNCDKODXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9(2)13-17-14(23-18-13)11-5-4-6-19(11)7-12-16-10(8-22-12)15(20)21-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70706146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).