3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline

C204H242FN19O5S5 — CID 159449981

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
SMILESCC(C)Sc1nc2sccn2c1C(C)C.CC(C)c1cc(F)cc2c1OCOC2.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1ccccc1-c1ccncc1.CC(C)c1cccn1-c1ncccn1.CC(C)c1ccnc2ccccc12.CC(C)c1cnc(-c2ccccc2)s1.CC(C)c1cnc2ccccc2c1.CC(C)c1nc2ccccc2n1C.CSc1ccc(C(C)C)cc1.Cc1c(C(C)C)sc2ccccc12.Cc1noc(C)c1C(C)C.Cc1onc(-c2ccccc2)c1C(C)C
InChIInChI=1S/4C14H15N.C13H14N2.C13H15NO.C12H17NO.C12H13NS.2C12H13N.C12H14S.C11H13FO2.C11H13N3.C11H16N2S2.C11H14N2.C10H14S.C8H13NO/c1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-11(2)13-5-3-4-6-14(13)12-7-9-15-10-8-12;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13;1-9(2)12-10(3)15-14-13(12)11-7-5-4-6-8-11;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-7(2)10-4-9(12)3-8-5-13-6-14-11(8)10;1-9(2)10-5-3-8-14(10)11-12-6-4-7-13-11;1-7(2)9-10(15-8(3)4)12-11-13(9)5-6-14-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)9-4-6-10(11-3)7-5-9;1-5(2)8-6(3)9-10-7(8)4/h4*3-11H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;4-5,8-9H,6-7H2,1-3H3;3-9H,1-2H3;2*3-9H,1-2H3;4-8H,1-3H3;3-4,7H,5-6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;5H,1-4H3
InChIKeyLTGCBZGFCIMOGV-UHFFFAOYSA-N
MW3219.64 g/mol
LogP58.02
Rot. Bonds28

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline (PubChem CID 159449981) has the molecular formula C204H242FN19O5S5 and a molecular weight of 3219.64 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
PubChem CID159449981
Molecular FormulaC204H242FN19O5S5
Molecular Weight3219.64 g/mol
Exact Mass3216.79
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
SMILESCC(C)Sc1nc2sccn2c1C(C)C.CC(C)c1cc(F)cc2c1OCOC2.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1ccccc1-c1ccncc1.CC(C)c1cccn1-c1ncccn1.CC(C)c1ccnc2ccccc12.CC(C)c1cnc(-c2ccccc2)s1.CC(C)c1cnc2ccccc2c1.CC(C)c1nc2ccccc2n1C.CSc1ccc(C(C)C)cc1.Cc1c(C(C)C)sc2ccccc12.Cc1noc(C)c1C(C)C.Cc1onc(-c2ccccc2)c1C(C)C
InChIInChI=1S/4C14H15N.C13H14N2.C13H15NO.C12H17NO.C12H13NS.2C12H13N.C12H14S.C11H13FO2.C11H13N3.C11H16N2S2.C11H14N2.C10H14S.C8H13NO/c1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-11(2)13-5-3-4-6-14(13)12-7-9-15-10-8-12;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13;1-9(2)12-10(3)15-14-13(12)11-7-5-4-6-8-11;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-7(2)10-4-9(12)3-8-5-13-6-14-11(8)10;1-9(2)10-5-3-8-14(10)11-12-6-4-7-13-11;1-7(2)9-10(15-8(3)4)12-11-13(9)5-6-14-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)9-4-6-10(11-3)7-5-9;1-5(2)8-6(3)9-10-7(8)4/h4*3-11H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;4-5,8-9H,6-7H2,1-3H3;3-9H,1-2H3;2*3-9H,1-2H3;4-8H,1-3H3;3-4,7H,5-6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;5H,1-4H3
InChIKeyLTGCBZGFCIMOGV-UHFFFAOYSA-N
XLogP58.02
TPSA264.83 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003219.64
LogP ≤ 558.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;2-tert-butyl-1-benzofuran;4-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;4-tert-butyl-2,3-dihydro-1H-quinoxaline;5-tert-butylimidazo[2,1-b][1,3]thiazole;5-tert-butyl-1H-imidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butyl-1,2-oxazole;3-tert-butylpyridine;8-tert-butylquinoline
CID 157552770
2-tert-butyl-1-benzofuran;4-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;4-tert-butyl-2,3-dihydro-1H-quinoxaline;5-tert-butylimidazo[2,1-b][1,3]thiazole;5-tert-butyl-1H-imidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butyl-1,2-oxazole;3-tert-butylpyridine;5-tert-butylquinoline;8-tert-butylquinoline
CID 157795807
CID 158599425
CID 158599425
1,3-dichloro-5-(4-propan-2-ylphenyl)benzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
CID 158940972
1,2-difluoro-3-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;3-methyl-1-methylsulfanylbutane;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methylsulfanyl-4-propan-2-ylbenzene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;4-(5-propan-2-ylfuran-2-yl)benzenesulfonamide;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;4-propan-2-ylpyridin-3-amine;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
CID 159161480
4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;bis(4-methyl-2-propan-2-yl-1,3-thiazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthiophene
CID 159264925
1,4-bis(4-methylphenyl)benzene;3,5-bis(4-methylphenyl)-1,2-oxazole;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene
CID 159394908
1,2-difluoro-3-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;3-methyl-1-methylsulfanylbutane;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;4-(5-propan-2-ylfuran-2-yl)benzenesulfonamide;4-(2-propan-2-ylphenyl)pyridine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;4-propan-2-ylpyridin-3-amine;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
CID 159507647
1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;6-methyl-1-benzofuran;6-methyl-1-benzothiophene;6-methyl-1,2-benzoxazole;bis(2-methyl-3H-indole);bis(6-methyl-3H-indole);5-methyl-1H-isoindole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinazoline;2-methylquinoline;6-methylquinoline;8-methylquinoline;toluene
CID 159599488
2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline
CID 160018363
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;4-propan-2-ylpyridin-3-amine;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline
CID 160500442
3-aminopyridine-4-carbaldehyde;5-(4-aminosulfanylphenyl)furan-2-carbaldehyde;3-(benzenecarboximidoyl)-4-hydroxybut-3-en-2-one;2,3-difluorobenzaldehyde;2,5-difluorobenzaldehyde;2,3-dihydro-1,4-benzodioxine-6-carbaldehyde;3,5-dimethyl-1,2-oxazole-4-carbaldehyde;6-fluoro-4H-1,3-benzodioxine-8-carbaldehyde;furan-2-carbaldehyde;1-methylbenzimidazole-2-carbaldehyde;3-methyl-1-benzothiophene-2-carbaldehyde;4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde;4-(4-methylpiperazin-1-yl)benzaldehyde;4-methylsulfanylbenzaldehyde;3-methylsulfanylpropanal;6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde;1-pyrimidin-2-ylpyrrole-2-carbaldehyde;quinoline-3-carbaldehyde;quinoline-4-carbaldehyde;dihydrate
CID 160646293

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline (CID 159449981) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline is CC(C)Sc1nc2sccn2c1C(C)C.CC(C)c1cc(F)cc2c1OCOC2.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncnc2)cc1.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1ccccc1-c1ccncc1.CC(C)c1cccn1-c1ncccn1.CC(C)c1ccnc2ccccc12.CC(C)c1cnc(-c2ccccc2)s1.CC(C)c1cnc2ccccc2c1.CC(C)c1nc2ccccc2n1C.CSc1ccc(C(C)C)cc1.Cc1c(C(C)C)sc2ccccc12.Cc1noc(C)c1C(C)C.Cc1onc(-c2ccccc2)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline?
The InChIKey is LTGCBZGFCIMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H15N.C13H14N2.C13H15NO.C12H17NO.C12H13NS.2C12H13N.C12H14S.C11H13FO2.C11H13N3.C11H16N2S2.C11H14N2.C10H14S.C8H13NO/c1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-11(2)13-5-3-4-6-14(13)12-7-9-15-10-8-12;1-10(2)11-3-5-12(6-4-11)13-7-14-9-15-8-13;1-9(2)12-10(3)15-14-13(12)11-7-5-4-6-8-11;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-7(2)10-4-9(12)3-8-5-13-6-14-11(8)10;1-9(2)10-5-3-8-14(10)11-12-6-4-7-13-11;1-7(2)9-10(15-8(3)4)12-11-13(9)5-6-14-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)9-4-6-10(11-3)7-5-9;1-5(2)8-6(3)9-10-7(8)4/h4*3-11H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;4-5,8-9H,6-7H2,1-3H3;3-9H,1-2H3;2*3-9H,1-2H3;4-8H,1-3H3;3-4,7H,5-6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;5H,1-4H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline has a molecular weight of 3219.64 g/mol, XLogP of 58.02, 28 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;6-fluoro-8-propan-2-yl-4H-1,3-benzodioxine;5-methyl-3-phenyl-4-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylbenzimidazole;3-methyl-2-propan-2-yl-1-benzothiophene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methylsulfanyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(2-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole;2-(2-propan-2-ylpyrrol-1-yl)pyrimidine;3-propan-2-ylquinoline;4-propan-2-ylquinoline is sourced from PubChem (CID 159449981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).