3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene

C215H335F3N26O8S3 — CID 162269336

IUPAC3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
SMILESC.C.C.C.CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)C1CC2CCC(F)CC2C1C.CC(C)c1c[nH]c(-c2cccnc2)c1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1csc2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CCCCc1nonc1C(C)C.CCOc1cccc(C(C)C)c1.CNC(=O)c1cc(C(C)C)nn1C.COc1cccc(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1[nH]ncc1C(C)C.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1C.Cc1cnc2c(C(C)C)cccn12.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H23F.C13H17N.C12H18N2.C12H14N2.C11H14N2.C11H18N2.C11H14O2.C11H16O.C11H16S.C11H16.C10H16N2.C10H18N2.C10H14O.2C9H15N3O.C9H16N2O.C8H12F2N2.C8H13NO.C8H12S.C7H12N2.C7H10S.4CH4/c1-8(2)12-6-10-4-5-11(14)7-13(10)9(12)3;1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)11-6-12(14-8-11)10-4-3-5-13-7-10;1-8(2)10-5-4-6-13-9(3)7-12-11(10)13;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-5-6-9(3)10(11)4;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-4-5-6-8-9(7(2)3)11-12-10-8;1-6(2)7-3-4-12(11-7)5-8(9)10;1-5(2)8-6(3)7(4)9-10-8;1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;;;;/h8-13H,4-7H2,1-3H3;5-8,14H,1-4H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9,14H,1-2H3;4-8H,1-3H3;7-9,11H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;5-8H,1-4H3;7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;4-8H,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);7H,4-6H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4*1H4
InChIKeyMCVBSCMQIAONFF-UHFFFAOYSA-N
MW3565.41 g/mol
LogP60.78
Rot. Bonds35

About 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene

3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene (PubChem CID 162269336) has the molecular formula C215H335F3N26O8S3 and a molecular weight of 3565.41 g/mol. Its IUPAC name is 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene.

Molecular Properties

Compound Name3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
PubChem CID162269336
Molecular FormulaC215H335F3N26O8S3
Molecular Weight3565.41 g/mol
Exact Mass3562.57
IUPAC Name3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
SMILESC.C.C.C.CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)C1CC2CCC(F)CC2C1C.CC(C)c1c[nH]c(-c2cccnc2)c1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1csc2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CCCCc1nonc1C(C)C.CCOc1cccc(C(C)C)c1.CNC(=O)c1cc(C(C)C)nn1C.COc1cccc(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1[nH]ncc1C(C)C.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1C.Cc1cnc2c(C(C)C)cccn12.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H23F.C13H17N.C12H18N2.C12H14N2.C11H14N2.C11H18N2.C11H14O2.C11H16O.C11H16S.C11H16.C10H16N2.C10H18N2.C10H14O.2C9H15N3O.C9H16N2O.C8H12F2N2.C8H13NO.C8H12S.C7H12N2.C7H10S.4CH4/c1-8(2)12-6-10-4-5-11(14)7-13(10)9(12)3;1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)11-6-12(14-8-11)10-4-3-5-13-7-10;1-8(2)10-5-4-6-13-9(3)7-12-11(10)13;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-5-6-9(3)10(11)4;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-4-5-6-8-9(7(2)3)11-12-10-8;1-6(2)7-3-4-12(11-7)5-8(9)10;1-5(2)8-6(3)7(4)9-10-8;1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;;;;/h8-13H,4-7H2,1-3H3;5-8,14H,1-4H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9,14H,1-2H3;4-8H,1-3H3;7-9,11H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;5-8H,1-4H3;7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;4-8H,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);7H,4-6H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4*1H4
InChIKeyMCVBSCMQIAONFF-UHFFFAOYSA-N
XLogP60.78
TPSA384.43 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003565.41
LogP ≤ 560.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene with MolForge

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Related Compounds

3-[[(1R)-1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]ethyl]amino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 159818401
CID 162278388
CID 162278388
1-chloro-5-propan-2-yl-3-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;4-methoxy-1-methyl-2-propan-2-ylbenzene;4-methyl-1,5-di(propan-2-yl)pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-methyl-4-propan-2-ylpyridine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-ylthiophene
CID 162278397
1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;methane;1-(2-nitrosophenyl)-2-propan-2-ylhydrazine;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;7-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;N-[2-(propan-2-yliminomethyl)phenyl]hydroxylamine;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 157619709
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 158060995
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 158846935
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;3-methylthieno[3,2-c]pyridin-4-amine;1H-pyrazolo[4,5-b]pyridine
CID 159111909
CID 159211956
CID 159211956
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;1-propan-2-yl-2,3-dihydroindole;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-ylindole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 159361068
CID 159695429
CID 159695429
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 160127708
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-3-ium;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 160622062

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
The IUPAC name of 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene (CID 162269336) is 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene.
What is the SMILES notation for 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
The canonical SMILES for 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene is C.C.C.C.CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)C1CC2CCC(F)CC2C1C.CC(C)c1c[nH]c(-c2cccnc2)c1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1csc2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CCCCc1nonc1C(C)C.CCOc1cccc(C(C)C)c1.CNC(=O)c1cc(C(C)C)nn1C.COc1cccc(C(C)C)c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1[nH]ncc1C(C)C.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1C.Cc1cnc2c(C(C)C)cccn12.Cc1noc(C(C)C)c1C.
What is the InChIKey of 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
The InChIKey is MCVBSCMQIAONFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F.C13H17N.C12H18N2.C12H14N2.C11H14N2.C11H18N2.C11H14O2.C11H16O.C11H16S.C11H16.C10H16N2.C10H18N2.C10H14O.2C9H15N3O.C9H16N2O.C8H12F2N2.C8H13NO.C8H12S.C7H12N2.C7H10S.4CH4/c1-8(2)12-6-10-4-5-11(14)7-13(10)9(12)3;1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)11-6-12(14-8-11)10-4-3-5-13-7-10;1-8(2)10-5-4-6-13-9(3)7-12-11(10)13;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-5-6-9(3)10(11)4;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-4-5-6-8-9(7(2)3)11-12-10-8;1-6(2)7-3-4-12(11-7)5-8(9)10;1-5(2)8-6(3)7(4)9-10-8;1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;;;;/h8-13H,4-7H2,1-3H3;5-8,14H,1-4H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9,14H,1-2H3;4-8H,1-3H3;7-9,11H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;5-8H,1-4H3;7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;4-8H,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);7H,4-6H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4*1H4.
What are the key properties of 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene?
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene has a molecular weight of 3565.41 g/mol, XLogP of 60.78, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;6-fluoro-1-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-(4-propan-2-yl-1H-pyrrol-2-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene is sourced from PubChem (CID 162269336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).