tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline

C240H315F4N23O11S2 — CID 161049272

IUPACtert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline
SMILESCC(C)C1=CCc2cc(F)ccc21.CC(C)C1=CCc2ccc(C#N)cc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=NCc2ccccc21.CC(C)C1CCOC1.CC(C)Cn1cccn1.CC(C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.CC(C)c1c(-c2ccccc2)nc2ncccn12.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2onnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cn[nH]c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncnc1.CC(C)c1coc2ccccc12.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)c(C)s1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(Cc2ncccc2C(C)C)cc1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C16H19N.C15H15N3.C13H25NO3.C13H13N.2C12H13F.C12H18N2O.C12H16.C12H14.C11H12N2.C11H13N.C11H12O.C10H12F2.C10H14O2S.C9H10N2O.C9H13NO.C9H14S.C8H12N2.C8H11NO.C7H10N2.C7H12N2.C7H14O.C6H10N2/c1-12(2)15-5-4-10-17-16(15)11-14-8-6-13(3)7-9-14;1-11(2)14-13(12-7-4-3-5-8-12)17-15-16-9-6-10-18(14)15;1-9(2)10-8-16-13(6,7)14(10)11(15)17-12(3,4)5;1-9(2)12-6-5-11-4-3-10(8-14)7-13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)8-5-4-7(3)9(11)10(8)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-6(2)7-3-4-9-8(5-7)10-11-12-9;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-3-8-5-9-4-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h4-10,12H,11H2,1-3H3;3-11H,1-2H3;9-10H,8H2,1-7H3;3-4,6-7,9H,5H2,1-2H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3;3-5,7H,6H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8)/t;;10-;;;;;;;;;;;;;;;;;;;;/m..0..................../s1
InChIKeyUBXKLUAZALGCRO-PWRWUIAKSA-N
MW3838.44 g/mol
LogP61.72
Rot. Bonds30

About tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline

tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline (PubChem CID 161049272) has the molecular formula C240H315F4N23O11S2 and a molecular weight of 3838.44 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline
PubChem CID161049272
Molecular FormulaC240H315F4N23O11S2
Molecular Weight3838.44 g/mol
Exact Mass3835.42
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline
SMILESCC(C)C1=CCc2cc(F)ccc21.CC(C)C1=CCc2ccc(C#N)cc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=NCc2ccccc21.CC(C)C1CCOC1.CC(C)Cn1cccn1.CC(C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.CC(C)c1c(-c2ccccc2)nc2ncccn12.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2onnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cn[nH]c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncnc1.CC(C)c1coc2ccccc12.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)c(C)s1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(Cc2ncccc2C(C)C)cc1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C16H19N.C15H15N3.C13H25NO3.C13H13N.2C12H13F.C12H18N2O.C12H16.C12H14.C11H12N2.C11H13N.C11H12O.C10H12F2.C10H14O2S.C9H10N2O.C9H13NO.C9H14S.C8H12N2.C8H11NO.C7H10N2.C7H12N2.C7H14O.C6H10N2/c1-12(2)15-5-4-10-17-16(15)11-14-8-6-13(3)7-9-14;1-11(2)14-13(12-7-4-3-5-8-12)17-15-16-9-6-10-18(14)15;1-9(2)10-8-16-13(6,7)14(10)11(15)17-12(3,4)5;1-9(2)12-6-5-11-4-3-10(8-14)7-13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)8-5-4-7(3)9(11)10(8)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-6(2)7-3-4-9-8(5-7)10-11-12-9;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-3-8-5-9-4-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h4-10,12H,11H2,1-3H3;3-11H,1-2H3;9-10H,8H2,1-7H3;3-4,6-7,9H,5H2,1-2H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3;3-5,7H,6H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8)/t;;10-;;;;;;;;;;;;;;;;;;;;/m..0..................../s1
InChIKeyUBXKLUAZALGCRO-PWRWUIAKSA-N
XLogP61.72
TPSA417.61 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003838.44
LogP ≤ 561.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline (CID 161049272) is tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline is CC(C)C1=CCc2cc(F)ccc21.CC(C)C1=CCc2ccc(C#N)cc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=NCc2ccccc21.CC(C)C1CCOC1.CC(C)Cn1cccn1.CC(C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.CC(C)c1c(-c2ccccc2)nc2ncccn12.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2onnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cn[nH]c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncnc1.CC(C)c1coc2ccccc12.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)c(C)s1.Cc1ccc(C(C)C)c(F)c1F.Cc1ccc(Cc2ncccc2C(C)C)cc1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline?
The InChIKey is UBXKLUAZALGCRO-PWRWUIAKSA-N. The full InChI is InChI=1S/C16H19N.C15H15N3.C13H25NO3.C13H13N.2C12H13F.C12H18N2O.C12H16.C12H14.C11H12N2.C11H13N.C11H12O.C10H12F2.C10H14O2S.C9H10N2O.C9H13NO.C9H14S.C8H12N2.C8H11NO.C7H10N2.C7H12N2.C7H14O.C6H10N2/c1-12(2)15-5-4-10-17-16(15)11-14-8-6-13(3)7-9-14;1-11(2)14-13(12-7-4-3-5-8-12)17-15-16-9-6-10-18(14)15;1-9(2)10-8-16-13(6,7)14(10)11(15)17-12(3,4)5;1-9(2)12-6-5-11-4-3-10(8-14)7-13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)8-5-4-7(3)9(11)10(8)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-6(2)7-3-4-9-8(5-7)10-11-12-9;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-3-8-5-9-4-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h4-10,12H,11H2,1-3H3;3-11H,1-2H3;9-10H,8H2,1-7H3;3-4,6-7,9H,5H2,1-2H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3;3-5,7H,6H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8)/t;;10-;;;;;;;;;;;;;;;;;;;;/m..0..................../s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline?
tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline has a molecular weight of 3838.44 g/mol, XLogP of 61.72, 30 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylthiophene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-3-propan-2-yl-1H-indene;2-methoxy-4-propan-2-ylpyridine;2-[(4-methylphenyl)methyl]-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)pyrazole;1-methylsulfonyl-4-propan-2-ylbenzene;2-phenyl-3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-yl-1-benzofuran;5-propan-2-yl-1,2,3-benzoxadiazole;4-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-5-carbonitrile;3-propan-2-yl-1H-isoindole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoxaline is sourced from PubChem (CID 161049272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).