3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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

C176H277F2N27O6S3 — CID 162278392

IUPAC3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1n[nH]c2c1CCCC2.CCCCc1nonc1C(C)C.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1cccc(C(C)C)c1.CNC(C)c1cc(C(C)C)nn1C.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1ccc(C(C)C)s1.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C11H13N3.C11H18N2.C11H14O2.C11H16O.C11H16S.C10H19N3.C10H16N2.3C10H18N2.C9H15N3O.C9H16N2O.C9H16N2.C8H12F2N2.C8H13NO.C8H12S.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;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)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-10(8(3)11-4)13(5)12-9;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;1-7(2)10-9(5)6-11-12(10)8(3)4;1-5-6-12-7-9(4)10(11-12)8(2)3;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;1-4-7-11-9(8(2)3)5-6-10-11;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;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;3-8H,1-2H3,(H,13,14);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;6-8,11H,1-5H3;7H,3-6H2,1-2H3,(H,11,12);2*6-8H,1-5H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3,(H,10,11,13);7H,4-6H2,1-3H3;5-6,8H,4,7H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyDXPGRPUQFUNISL-UHFFFAOYSA-N
MW3001.53 g/mol
LogP48.88
Rot. Bonds36

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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 162278392) has the molecular formula C176H277F2N27O6S3 and a molecular weight of 3001.53 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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 CID162278392
Molecular FormulaC176H277F2N27O6S3
Molecular Weight3001.53 g/mol
Exact Mass2999.13
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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1n[nH]c2c1CCCC2.CCCCc1nonc1C(C)C.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1cccc(C(C)C)c1.CNC(C)c1cc(C(C)C)nn1C.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1ccc(C(C)C)s1.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C11H13N3.C11H18N2.C11H14O2.C11H16O.C11H16S.C10H19N3.C10H16N2.3C10H18N2.C9H15N3O.C9H16N2O.C9H16N2.C8H12F2N2.C8H13NO.C8H12S.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;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)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-10(8(3)11-4)13(5)12-9;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;1-7(2)10-9(5)6-11-12(10)8(3)4;1-5-6-12-7-9(4)10(11-12)8(2)3;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;1-4-7-11-9(8(2)3)5-6-10-11;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;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;3-8H,1-2H3,(H,13,14);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;6-8,11H,1-5H3;7H,3-6H2,1-2H3,(H,11,12);2*6-8H,1-5H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3,(H,10,11,13);7H,4-6H2,1-3H3;5-6,8H,4,7H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyDXPGRPUQFUNISL-UHFFFAOYSA-N
XLogP48.88
TPSA362.37 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.53
LogP ≤ 548.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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

CID 162278388
CID 162278388
CID 162268816
CID 162268816
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
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;1-methyl-3-propan-2-yl-2H-benzimidazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 162270137
1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-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-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-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 162278393
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;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;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 162278394
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;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;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;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;1-methyl-3-propan-2-ylindazole;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;2-propan-2-ylimidazo[1,2-a]pyridine;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;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 162278395

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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 162278392) 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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1n[nH]c2c1CCCC2.CCCCc1nonc1C(C)C.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1cccc(C(C)C)c1.CNC(C)c1cc(C(C)C)nn1C.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1ccc(C(C)C)s1.Cc1cnn(C(C)C)c1C(C)C.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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 DXPGRPUQFUNISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C11H13N3.C11H18N2.C11H14O2.C11H16O.C11H16S.C10H19N3.C10H16N2.3C10H18N2.C9H15N3O.C9H16N2O.C9H16N2.C8H12F2N2.C8H13NO.C8H12S.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;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)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-10(8(3)11-4)13(5)12-9;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;1-7(2)10-9(5)6-11-12(10)8(3)4;1-5-6-12-7-9(4)10(11-12)8(2)3;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;1-4-7-11-9(8(2)3)5-6-10-11;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;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;3-8H,1-2H3,(H,13,14);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;6-8,11H,1-5H3;7H,3-6H2,1-2H3,(H,11,12);2*6-8H,1-5H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3,(H,10,11,13);7H,4-6H2,1-3H3;5-6,8H,4,7H2,1-3H3;3-4,6,8H,5H2,1-2H3;5H,1-4H3;4-6H,1-3H3;3-6H,1-2H3.
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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 3001.53 g/mol, XLogP of 48.88, 36 rotatable bonds, 5 hydrogen bond donors, and 32 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;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1-ethoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-1,5-di(propan-2-yl)pyrazole;N-methyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine;4-methyl-3-propan-2-yl-1-propylpyrazole;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;5-propan-2-yl-1-propylpyrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-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 162278392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).