3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide

C196H310FN47O8S3 — CID 159032620

IUPAC3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide
SMILESCC(C)c1ccc(N)nc1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=C1.Cc1cc(C(C)(C)C)nn1C.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)no1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1noc(C(C)C)n1.Cc1noc(C)c1C(C)C.Cn1ncc(C(C)(C)C)n1.O=S=O
InChIInChI=1S/C15H20N2.C10H14N2O.C10H15N.C9H15N3.C9H16N2.C8H10FN.3C8H12N2.C8H13NO.C8H13NS.C8H13N.C7H13N3.C7H11N3.2C7H12N2.C7H10N2.2C7H12N2.C7H11NO.C7H11NS.C6H11N3.3C6H10N2O.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7-6-8(9(2,3)4)10-11(7)5;1-6(2)7-3-8(9)5-10-4-7;2*1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-7(2,3)6-5-8-10(4)9-6;1-5(2)6-3-9-7(8)10-4-6;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6;1-4(2)6-8-7-5(3)9-6;2*1-4(2)6-7-5(3)8-9-6;1-3-2/h5-9,11H,10H2,1-4H3;5-8H,3-4H2,1-2H3;5-7H,1-4H3;5-7H,1-4H3;6H,1-5H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H2,9,10);2*5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;3-5H,1-2H3,(H2,8,9,10);2*4-6H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;3*4-5H,1-3H3;3*4H,1-3H3;
InChIKeyJVBIYDXUBJRLPN-UHFFFAOYSA-N
MW3568.16 g/mol
LogP47.05
Rot. Bonds27

About 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide

3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide (PubChem CID 159032620) has the molecular formula C196H310FN47O8S3 and a molecular weight of 3568.16 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide.

Molecular Properties

Compound Name3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide
PubChem CID159032620
Molecular FormulaC196H310FN47O8S3
Molecular Weight3568.16 g/mol
Exact Mass3565.44
IUPAC Name3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide
SMILESCC(C)c1ccc(N)nc1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=C1.Cc1cc(C(C)(C)C)nn1C.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)no1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1noc(C(C)C)n1.Cc1noc(C)c1C(C)C.Cn1ncc(C(C)(C)C)n1.O=S=O
InChIInChI=1S/C15H20N2.C10H14N2O.C10H15N.C9H15N3.C9H16N2.C8H10FN.3C8H12N2.C8H13NO.C8H13NS.C8H13N.C7H13N3.C7H11N3.2C7H12N2.C7H10N2.2C7H12N2.C7H11NO.C7H11NS.C6H11N3.3C6H10N2O.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7-6-8(9(2,3)4)10-11(7)5;1-6(2)7-3-8(9)5-10-4-7;2*1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-7(2,3)6-5-8-10(4)9-6;1-5(2)6-3-9-7(8)10-4-6;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6;1-4(2)6-8-7-5(3)9-6;2*1-4(2)6-7-5(3)8-9-6;1-3-2/h5-9,11H,10H2,1-4H3;5-8H,3-4H2,1-2H3;5-7H,1-4H3;5-7H,1-4H3;6H,1-5H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H2,9,10);2*5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;3-5H,1-2H3,(H2,8,9,10);2*4-6H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;3*4-5H,1-3H3;3*4H,1-3H3;
InChIKeyJVBIYDXUBJRLPN-UHFFFAOYSA-N
XLogP47.05
TPSA667.18 Ų
H-Bond Donors2
H-Bond Acceptors57
Rotatable Bonds27
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003568.16
LogP ≤ 547.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1057

Analyze 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide with MolForge

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Launch Full Analysis

Related Compounds

CID 157624150
CID 157624150
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
CID 158667217
CID 158667217
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
CID 159316014
CID 159327153
CID 159327153
2-Tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2-fluoropyridine;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-6-methylpyridazine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butylpyridazine;5-tert-butylpyridin-2-amine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,3-thiazol-2-amine;2-tert-butyl-1,3-thiazole;methane
CID 157498767
2-tert-butyl-4-ethyl-1,3-thiazole;3-tert-butyl-5-(fluoromethyl)-1,2-oxazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tris(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157905791
5-tert-butyl-1-methyl-3-phenylpyrazole;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3,3-dimethylbutyl)imidazolidin-2-one;4-(3,3-dimethylbutyl)-1-methylimidazole;3-(3,3-dimethylbutyl)-5-methyl-1,2-oxazole;2-(3,3-dimethylbutyl)-1-methylpyrrolidine;2-(3,3-dimethylbutyl)-3-methylthiophene;1-(3,3-dimethylbutyl)piperidine;5-(3,3-dimethylbutyl)pyridin-2-amine;2-(3,3-dimethylbutyl)pyridine;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;2-(3,3-dimethylbutyl)pyrrolidine;(2S)-2-(2,2-dimethylpropyl)oxolane;(2R)-2-(2,2-dimethylpropyl)oxolane;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine
CID 157938903
tert-butylbenzene;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157988527
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine
CID 158425445
Azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 158583678
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene
CID 159069939

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide?
The IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide (CID 159032620) is 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide.
What is the SMILES notation for 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide?
The canonical SMILES for 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide is CC(C)c1ccc(N)nc1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cnc(N(C)C)nc1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=C1.Cc1cc(C(C)(C)C)nn1C.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)no1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1noc(C(C)C)n1.Cc1noc(C)c1C(C)C.Cn1ncc(C(C)(C)C)n1.O=S=O.
What is the InChIKey of 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide?
The InChIKey is JVBIYDXUBJRLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C10H14N2O.C10H15N.C9H15N3.C9H16N2.C8H10FN.3C8H12N2.C8H13NO.C8H13NS.C8H13N.C7H13N3.C7H11N3.2C7H12N2.C7H10N2.2C7H12N2.C7H11NO.C7H11NS.C6H11N3.3C6H10N2O.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)8-5-10-9(11-6-8)12(3)4;1-7-6-8(9(2,3)4)10-11(7)5;1-6(2)7-3-8(9)5-10-4-7;2*1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-7(2,3)6-5-8-10(4)9-6;1-5(2)6-3-9-7(8)10-4-6;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6;1-4(2)6-8-7-5(3)9-6;2*1-4(2)6-7-5(3)8-9-6;1-3-2/h5-9,11H,10H2,1-4H3;5-8H,3-4H2,1-2H3;5-7H,1-4H3;5-7H,1-4H3;6H,1-5H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H2,9,10);2*5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;3-5H,1-2H3,(H2,8,9,10);2*4-6H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;3*4-5H,1-3H3;3*4H,1-3H3;.
What are the key properties of 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide?
3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide has a molecular weight of 3568.16 g/mol, XLogP of 47.05, 27 rotatable bonds, 2 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyltriazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;sulfur dioxide is sourced from PubChem (CID 159032620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).