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

C153H282F2N16O15 — CID 167660429

IUPAC1-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
SMILESC=C1C[C@@H](COC(C)(C)C)CCN1.C=C1C[C@H](COC(C)(C)C)CCN1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCCCC1.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)CCC1.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.2C11H21NO.C11H22O.C11H16O.2C10H18N2O.C10H21NO.C10H20O.3C9H16N2O.C9H15NO.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;2*1-9-7-10(5-6-12-9)8-13-11(2,3)4;2*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;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)11-8-10(4)6-5-7-10;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)9-6-7-4-5-7/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10,12H,1,5-8H2,2-4H3;10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;7H,4-6H2,1-3H3/t9?,10-,11+,12?;8?,9-,10+,11?;2*10-;;;;;;;;;;;/m..10.........../s1
InChIKeyRWMGORITQSPITC-LWNPVIAVSA-N
MW2624.03 g/mol
LogP34.87
Rot. Bonds35

About 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

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 (PubChem CID 167660429) has the molecular formula C153H282F2N16O15 and a molecular weight of 2624.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID167660429
Molecular FormulaC153H282F2N16O15
Molecular Weight2624.03 g/mol
Exact Mass2622.18
IUPAC Name1-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
SMILESC=C1C[C@@H](COC(C)(C)C)CCN1.C=C1C[C@H](COC(C)(C)C)CCN1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCCCC1.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)CCC1.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.2C11H21NO.C11H22O.C11H16O.2C10H18N2O.C10H21NO.C10H20O.3C9H16N2O.C9H15NO.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;2*1-9-7-10(5-6-12-9)8-13-11(2,3)4;2*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;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)11-8-10(4)6-5-7-10;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)9-6-7-4-5-7/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10,12H,1,5-8H2,2-4H3;10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;7H,4-6H2,1-3H3/t9?,10-,11+,12?;8?,9-,10+,11?;2*10-;;;;;;;;;;;/m..10.........../s1
InChIKeyRWMGORITQSPITC-LWNPVIAVSA-N
XLogP34.87
TPSA295.41 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002624.03
LogP ≤ 534.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-benzimidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]morpholine
CID 162575015
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine
CID 141270812
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
(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine
CID 158244674
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
CID 160672745
CID 160672745
1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium
CID 161041063
CID 161273650
CID 161273650

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C[C@@H](COC(C)(C)C)CCN1.C=C1C[C@H](COC(C)(C)C)CCN1.CC(C)(C)OCC1=CCN=C1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CCCCC1.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)CCC1.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;(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?
The InChIKey is RWMGORITQSPITC-LWNPVIAVSA-N. The full InChI is InChI=1S/C13H24FNO.C12H22FNO.2C11H21NO.C11H22O.C11H16O.2C10H18N2O.C10H21NO.C10H20O.3C9H16N2O.C9H15NO.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;2*1-9-7-10(5-6-12-9)8-13-11(2,3)4;2*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;1-5-6-11-7-9(8-11)12-10(2,3)4;1-9(2,3)11-8-10(4)6-5-7-10;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)9-6-7-4-5-7/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;2*10,12H,1,5-8H2,2-4H3;10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;6-8H,1-5H3;6-7H,5,8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;5-6H,7H2,1-4H3;2*5H,6H2,1-4H3,(H,10,11);4,6H,5,7H2,1-3H3;7H,4-6H2,1-3H3/t9?,10-,11+,12?;8?,9-,10+,11?;2*10-;;;;;;;;;;;/m..10.........../s1.
What are the key properties of 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?
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 has a molecular weight of 2624.03 g/mol, XLogP of 34.87, 35 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167660429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).