1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole

C99H151N11O9 — CID 159886116

IUPAC1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole
SMILESC.C.C=C1C=C(C(C)C)OC1.CC(C)C1=CCC=N1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)o1.Cc1coc(C(C)C)n1.Cc1noc(C(C)C)n1
InChIInChI=1S/C13H14.C10H14.C8H14N2.C8H12O.2C7H11NO.C7H11N.C7H10O.C6H10N2O.4C6H9NO.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;;/h3-10H,1-2H3;4-8H,1-3H3;5-6H,1-4H3;4,6H,3,5H2,1-2H3;2*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;4*3-5H,1-2H3;2*1H4
InChIKeyNUDSTNQUDYODLX-UHFFFAOYSA-N
MW1639.36 g/mol
LogP29.63
Rot. Bonds13

About 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole

1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole (PubChem CID 159886116) has the molecular formula C99H151N11O9 and a molecular weight of 1639.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole
PubChem CID159886116
Molecular FormulaC99H151N11O9
Molecular Weight1639.36 g/mol
Exact Mass1638.17
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole
SMILESC.C.C=C1C=C(C(C)C)OC1.CC(C)C1=CCC=N1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)o1.Cc1coc(C(C)C)n1.Cc1noc(C(C)C)n1
InChIInChI=1S/C13H14.C10H14.C8H14N2.C8H12O.2C7H11NO.C7H11N.C7H10O.C6H10N2O.4C6H9NO.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;;/h3-10H,1-2H3;4-8H,1-3H3;5-6H,1-4H3;4,6H,3,5H2,1-2H3;2*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;4*3-5H,1-2H3;2*1H4
InChIKeyNUDSTNQUDYODLX-UHFFFAOYSA-N
XLogP29.63
TPSA247.65 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001639.36
LogP ≤ 529.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methoxy-1,4-dimethylbenzene;2-methylbutane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole
CID 157745024
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 157823897
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 158413465
3-Cyclohexyl-1-methyl-5-propan-2-ylpyrazole;3-[3-(1,1-difluoroethoxy)phenyl]-5-propan-2-yl-1,2-oxazole;3-[3-(1,1-difluoroethyl)phenyl]-5-propan-2-yl-1,2-oxazole;5-[3-(1,1-difluoroethyl)phenyl]-3-propan-2-yl-1,2-oxazole;3-(3-methoxyphenyl)-5-propan-2-yl-1,2-oxazole;bis(3-(3-methylphenyl)-5-propan-2-yl-1,2-oxazole);3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;5-(3-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzonitrile
CID 159142286
5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole;3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole;2-(1,1-difluoro-2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;7-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-dimethyl-3H-1-benzofuran;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,5-dimethyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2,4-oxadiazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 160267447
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole
CID 162008443
cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 163963054
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 165082323
2-(4-Anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 157125544
2-(Azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 157172849
3-Cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole
CID 157230146
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
CID 157480726

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole (CID 159886116) is 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole is C.C.C=C1C=C(C(C)C)OC1.CC(C)C1=CCC=N1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncco1.Cc1cc(C(C)C)n(C)n1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)o1.Cc1coc(C(C)C)n1.Cc1noc(C(C)C)n1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole?
The InChIKey is NUDSTNQUDYODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C10H14.C8H14N2.C8H12O.2C7H11NO.C7H11N.C7H10O.C6H10N2O.4C6H9NO.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;;/h3-10H,1-2H3;4-8H,1-3H3;5-6H,1-4H3;4,6H,3,5H2,1-2H3;2*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;4*3-5H,1-2H3;2*1H4.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole?
1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole has a molecular weight of 1639.36 g/mol, XLogP of 29.63, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazole;methane;3-methylidene-5-propan-2-ylfuran;1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 159886116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).