2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

C234H359F5N34O9S6 — CID 158667158

IUPAC2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1cnccn1.CC(C)C(C(C)C)N1CCCNC1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C2CC2)on1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccn(C)n1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1cscn1.CC(C)c1nccs1.CCc1cc(C(C)C)no1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)s1.Cc1ncsc1C(C)C.Cc1onc(C(C)C)c1C
InChIInChI=1S/C11H22N2O.4C9H11F.C9H13NO.C9H15NO.C8H10FN.2C8H14N2.3C8H12N2.2C8H13NO.C8H12O.2C8H12S.4C7H12N2.C7H10N2.2C7H11NO.2C7H11NS.C6H9NO.2C6H9NS/c1-8(2)10(9(3)4)13-7-5-6-12-11(13)14;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-9(11-10-8)7-3-4-7;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;2*1-6(2)8-5-9-7(3)4-10-8;1-8(2,3)7-6-9-4-5-10-7;1-5(2)8-6(3)7(4)10-9-8;1-4-7-5-8(6(2)3)9-10-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h8-10H,5-7H2,1-4H3,(H,12,14);4*3-7H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;2*5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;5*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4*4-5H,1-3H3;3*3-5H,1-2H3
InChIKeyIDMRIUXWRGUTRB-UHFFFAOYSA-N
MW4080.07 g/mol
LogP69.02
Rot. Bonds34

About 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 158667158) has the molecular formula C234H359F5N34O9S6 and a molecular weight of 4080.07 g/mol. Its IUPAC name is 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
PubChem CID158667158
Molecular FormulaC234H359F5N34O9S6
Molecular Weight4080.07 g/mol
Exact Mass4076.69
IUPAC Name2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1cnccn1.CC(C)C(C(C)C)N1CCCNC1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C2CC2)on1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccn(C)n1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1cscn1.CC(C)c1nccs1.CCc1cc(C(C)C)no1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)s1.Cc1ncsc1C(C)C.Cc1onc(C(C)C)c1C
InChIInChI=1S/C11H22N2O.4C9H11F.C9H13NO.C9H15NO.C8H10FN.2C8H14N2.3C8H12N2.2C8H13NO.C8H12O.2C8H12S.4C7H12N2.C7H10N2.2C7H11NO.2C7H11NS.C6H9NO.2C6H9NS/c1-8(2)10(9(3)4)13-7-5-6-12-11(13)14;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-9(11-10-8)7-3-4-7;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;2*1-6(2)8-5-9-7(3)4-10-8;1-8(2,3)7-6-9-4-5-10-7;1-5(2)8-6(3)7(4)10-9-8;1-4-7-5-8(6(2)3)9-10-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h8-10H,5-7H2,1-4H3,(H,12,14);4*3-7H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;2*5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;5*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4*4-5H,1-3H3;3*3-5H,1-2H3
InChIKeyIDMRIUXWRGUTRB-UHFFFAOYSA-N
XLogP69.02
TPSA523.90 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds34
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004080.07
LogP ≤ 569.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Analyze 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

CID 157626130
CID 157626130
3-[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-1H-isoindol-5-yl]-5,5-dimethylcyclohex-2-en-1-one;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-isoindole;5,5-dimethyl-3-[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]cyclohex-2-en-1-one;4-[6-[6-(furan-3-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[6-(2-methyl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-(6-thiophen-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 157764382
CID 157902277
CID 157902277
CID 157926211
CID 157926211
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
CID 158268952
CID 158268952
N,N-diethyl-4-propylaniline;N,N-dimethyl-4-propylaniline;3,5-dimethyl-4-propyl-1,2-oxazole;3,5-dimethyl-4-propyl-1H-pyrazole;4-ethyl-N,N-dimethylaniline;4-ethyl-1-oxidopyridin-1-ium;1-ethyl-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propylimidazole;1-methylsulfonyl-4-propan-2-ylbenzene;1-nitro-4-propylbenzene;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylthiophene;4-propylbenzenesulfonamide;2-propylfuran;5-propyl-1H-imidazole;2-propylpyrazine;2-propylpyridine;3-propylpyridine;4-propylpyridine;2-propylthiophene;2-(1,1,1-trifluoropropan-2-yl)furan;2-(1,1,1-trifluoropropan-2-yl)pyridine
CID 158380816
5-tert-butyl-2,3-dimethylfuran;3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyridine;4-tert-butyl-6-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;4,5-dimethyl-1-propan-2-ylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2-fluoropropan-2-yl)-5-methyl-1,2-oxazole;5-methyl-3-(2-methylbutan-2-yl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;5-methyl-3-(trifluoromethyl)-1,2-oxazole;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 158832470
1-tert-butyl-3-(trifluoromethoxy)benzene;1,1-difluoro-3-propan-2-ylcyclopentane;2,3-dimethylbutane;1,4-di(propan-2-yl)piperidine;(2S)-2-ethyl-3-methylbutan-1-ol;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylbenzoic acid;(1S,2R,4R)-2-propan-2-ylbicyclo[2.2.1]heptane;(1S,2S,4R)-2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclopentane;(1-propan-2-ylcyclopentyl)methanol;4-propan-2-yloxane;3-propan-2-yl-1,2-oxazole;(3S)-3-propan-2-yloxolan-2-one;N-(2-propan-2-ylphenyl)acetamide;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;bis(2-propan-2-yl-1,3-thiazole);trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclopentan-1-amine;trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-amine
CID 158845472
1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane
CID 158853720
1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole
CID 158933644
CID 159320113
CID 159320113

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (CID 158667158) is 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is CC(C)(C)c1cnccn1.CC(C)C(C(C)C)N1CCCNC1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C2CC2)on1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccn(C)n1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1cscn1.CC(C)c1nccs1.CCc1cc(C(C)C)no1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)s1.Cc1ncsc1C(C)C.Cc1onc(C(C)C)c1C.
What is the InChIKey of 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The InChIKey is IDMRIUXWRGUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.4C9H11F.C9H13NO.C9H15NO.C8H10FN.2C8H14N2.3C8H12N2.2C8H13NO.C8H12O.2C8H12S.4C7H12N2.C7H10N2.2C7H11NO.2C7H11NS.C6H9NO.2C6H9NS/c1-8(2)10(9(3)4)13-7-5-6-12-11(13)14;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-9(11-10-8)7-3-4-7;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;2*1-6(2)8-5-9-7(3)4-10-8;1-8(2,3)7-6-9-4-5-10-7;1-5(2)8-6(3)7(4)10-9-8;1-4-7-5-8(6(2)3)9-10-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h8-10H,5-7H2,1-4H3,(H,12,14);4*3-7H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;2*5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;5*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4*4-5H,1-3H3;3*3-5H,1-2H3.
What are the key properties of 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 4080.07 g/mol, XLogP of 69.02, 34 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrazine;5-cyclopropyl-3-propan-2-yl-1,2-oxazole;1-(2,4-dimethylpentan-3-yl)-1,3-diazinan-2-one;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;bis(1-fluoro-4-propan-2-ylbenzene);3-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(5-methyl-3-propan-2-yl-1H-pyrazole);4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-propan-2-yl-1,2-oxazole;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158667158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).