1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one

C161H298F2N18O19 — CID 158428371

IUPAC1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
SMILESC=C1C[C@@H](COC(C)(C)C)CCN1.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCNCC1.CC(C)(C)OC[C@@H]1CCNC(=O)C1.CC(C)(C)OCc1ccccc1.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC1(COC(C)(C)C)COC1.CCCN1CC(OC(C)(C)C)C1.CCn1cc(COC(C)(C)C)cn1.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C13H24FNO.C12H22FNO.C11H21NO2.C11H21NO.C11H16O.2C10H18N2O.C10H19NO2.2C10H21NO.3C9H16N2O.C9H15NO.C9H18O2.C8H16O/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-9-7-10(5-6-12-9)8-13-11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)13-7-8-4-5-11-9(12)6-8;1-10(2,3)12-8-9-4-6-11-7-5-9;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)11-7-8-4-5-10-6-8;1-8(2,3)11-7-9(4)5-10-6-9;1-8(2,3)9-6-7-4-5-7/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;10H,5-8H2,1-4H3;10,12H,1,5-8H2,2-4H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;8H,4-7H2,1-3H3,(H,11,12);9,11H,4-8H2,1-3H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;5-7H2,1-4H3;7H,4-6H2,1-3H3/t9?,10-,11+,12?;8?,9-,10+,11?;;10-;;;;8-;;;;;;;;/m...0...1......../s1
InChIKeyHBIMQWIUMMWVJR-XMBTZROLSA-N
MW2828.26 g/mol
LogP32.62
Rot. Bonds38

About 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one

1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 158428371) has the molecular formula C161H298F2N18O19 and a molecular weight of 2828.26 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
PubChem CID158428371
Molecular FormulaC161H298F2N18O19
Molecular Weight2828.26 g/mol
Exact Mass2826.29
IUPAC Name1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
SMILESC=C1C[C@@H](COC(C)(C)C)CCN1.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCNCC1.CC(C)(C)OC[C@@H]1CCNC(=O)C1.CC(C)(C)OCc1ccccc1.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC1(COC(C)(C)C)COC1.CCCN1CC(OC(C)(C)C)C1.CCn1cc(COC(C)(C)C)cn1.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C13H24FNO.C12H22FNO.C11H21NO2.C11H21NO.C11H16O.2C10H18N2O.C10H19NO2.2C10H21NO.3C9H16N2O.C9H15NO.C9H18O2.C8H16O/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-9-7-10(5-6-12-9)8-13-11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)13-7-8-4-5-11-9(12)6-8;1-10(2,3)12-8-9-4-6-11-7-5-9;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)11-7-8-4-5-10-6-8;1-8(2,3)11-7-9(4)5-10-6-9;1-8(2,3)9-6-7-4-5-7/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;10H,5-8H2,1-4H3;10,12H,1,5-8H2,2-4H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;8H,4-7H2,1-3H3,(H,11,12);9,11H,4-8H2,1-3H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;5-7H2,1-4H3;7H,4-6H2,1-3H3/t9?,10-,11+,12?;8?,9-,10+,11?;;10-;;;;8-;;;;;;;;/m...0...1......../s1
InChIKeyHBIMQWIUMMWVJR-XMBTZROLSA-N
XLogP32.62
TPSA363.28 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002828.26
LogP ≤ 532.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one with MolForge

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Related Compounds

2-tert-butyl-N-methylcyclopropane-1-carboxamide;cis-(1S,2S)-1-ethyl-2-methylcyclopropane;ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;methane;1-[(1S,2S)-2-methylcyclopropyl]ethanone;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;1-methyl-3-[(2-methylpropan-2-yl)oxy]piperidine;(1R,5S)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.1.0]hexane;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one;1-[(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one
CID 158153925
CID 160672745
CID 160672745
CID 161273650
CID 161273650
1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1R,5S)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine
CID 167660429
(4-tert-butyl-2-methyliminocyclohexylidene)methanamine;3-fluoro-4-(2-methylpropoxy)oxane;1-(1-methoxyethenyl)-N-propan-2-ylazetidin-3-amine;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
CID 167667572

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one (CID 158428371) is 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one is C=C1C[C@@H](COC(C)(C)C)CCN1.CC(=O)CN1CCC(OC(C)(C)C)C1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCNCC1.CC(C)(C)OC[C@@H]1CCNC(=O)C1.CC(C)(C)OCc1ccccc1.CC(F)CN1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(F)N1C[C@@H]2C(COC(C)(C)C)[C@@H]2C1.CC(OC(C)(C)C)c1cnn(C)c1.CC1(COC(C)(C)C)COC1.CCCN1CC(OC(C)(C)C)C1.CCn1cc(COC(C)(C)C)cn1.Cc1cc(COC(C)(C)C)n[nH]1.Cc1ncc(COC(C)(C)C)[nH]1.Cn1cc(COC(C)(C)C)cn1.
What is the InChIKey of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
The InChIKey is HBIMQWIUMMWVJR-XMBTZROLSA-N. The full InChI is InChI=1S/C13H24FNO.C12H22FNO.C11H21NO2.C11H21NO.C11H16O.2C10H18N2O.C10H19NO2.2C10H21NO.3C9H16N2O.C9H15NO.C9H18O2.C8H16O/c1-9(14)5-15-6-10-11(7-15)12(10)8-16-13(2,3)4;1-8(13)14-5-9-10(6-14)11(9)7-15-12(2,3)4;1-9(13)7-12-6-5-10(8-12)14-11(2,3)4;1-9-7-10(5-6-12-9)8-13-11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;1-8(13-10(2,3)4)9-6-11-12(5)7-9;1-5-12-7-9(6-11-12)8-13-10(2,3)4;1-10(2,3)13-7-8-4-5-11-9(12)6-8;1-10(2,3)12-8-9-4-6-11-7-5-9;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)12-7-8-5-10-11(4)6-8;1-7-10-5-8(11-7)6-12-9(2,3)4;1-7-5-8(11-10-7)6-12-9(2,3)4;1-9(2,3)11-7-8-4-5-10-6-8;1-8(2,3)11-7-9(4)5-10-6-9;1-8(2,3)9-6-7-4-5-7/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;10H,5-8H2,1-4H3;10,12H,1,5-8H2,2-4H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;8H,4-7H2,1-3H3,(H,11,12);9,11H,4-8H2,1-3H3;9H,5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;5-7H2,1-4H3;7H,4-6H2,1-3H3/t9?,10-,11+,12?;8?,9-,10+,11?;;10-;;;;8-;;;;;;;;/m...0...1......../s1.
What are the key properties of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one?
1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2828.26 g/mol, XLogP of 32.62, 38 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;(1S,5R)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane;(4S)-2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole;2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-imidazole;3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole;5-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-1H-pyrazole;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(4R)-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-2-one;4-[(2-methylpropan-2-yl)oxymethyl]-2H-pyrrole;3-[(2-methylpropan-2-yl)oxy]-1-propylazetidine;1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 158428371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).