3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole

C173H257N33O8 — CID 157181921

IUPAC3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)(C)c1cc2n(n1)CCC2.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccon1.CC(C)(C)c1cnc2[nH]ccc2n1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1n[nH]c2c1CCCC2.CC(C)(C)c1ncccn1.CC(C)(C)c1noc2ccccc12.COc1ccc2c(c1)C=C(C(C)(C)C)C2.COc1cncc(C(C)(C)C)n1.COc1nccc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cncc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H18O.C12H16N2.C11H18N2.C11H13NO.C10H13N3.C10H16N2.2C9H14N2O.C9H14N2.6C8H12N2.2C8H13NO.C7H12N2O.C7H11NO/c1-14(2,3)12-7-10-5-6-13(15-4)9-11(10)8-12;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-10(2,3)8-6-12-9-7(13-8)4-5-11-9;1-10(2,3)9-7-8-5-4-6-12(8)11-9;1-9(2,3)7-5-10-6-8(11-7)12-4;1-9(2,3)7-5-6-10-8(11-7)12-4;1-7-5-10-6-8(11-7)9(2,3)4;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-4-5-9-8-6/h5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;4-7H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12);7H,4-6H2,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;6*4-6H,1-3H3;2*5H,1-4H3;1-4H3;4-5H,1-3H3
InChIKeyAOQWSSBZAZRFJT-UHFFFAOYSA-N
MW2927.18 g/mol
LogP41.15
Rot. Bonds3

About 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole

3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 157181921) has the molecular formula C173H257N33O8 and a molecular weight of 2927.18 g/mol. Its IUPAC name is 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID157181921
Molecular FormulaC173H257N33O8
Molecular Weight2927.18 g/mol
Exact Mass2925.07
IUPAC Name3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)(C)c1cc2n(n1)CCC2.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccon1.CC(C)(C)c1cnc2[nH]ccc2n1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1n[nH]c2c1CCCC2.CC(C)(C)c1ncccn1.CC(C)(C)c1noc2ccccc12.COc1ccc2c(c1)C=C(C(C)(C)C)C2.COc1cncc(C(C)(C)C)n1.COc1nccc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cncc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H18O.C12H16N2.C11H18N2.C11H13NO.C10H13N3.C10H16N2.2C9H14N2O.C9H14N2.6C8H12N2.2C8H13NO.C7H12N2O.C7H11NO/c1-14(2,3)12-7-10-5-6-13(15-4)9-11(10)8-12;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-10(2,3)8-6-12-9-7(13-8)4-5-11-9;1-10(2,3)9-7-8-5-4-6-12(8)11-9;1-9(2,3)7-5-10-6-8(11-7)12-4;1-9(2,3)7-5-6-10-8(11-7)12-4;1-7-5-10-6-8(11-7)9(2,3)4;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-4-5-9-8-6/h5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;4-7H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12);7H,4-6H2,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;6*4-6H,1-3H3;2*5H,1-4H3;1-4H3;4-5H,1-3H3
InChIKeyAOQWSSBZAZRFJT-UHFFFAOYSA-N
XLogP41.15
TPSA508.64 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds3
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002927.18
LogP ≤ 541.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
6-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;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;6-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;4-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
CID 157104031
benzene;2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-oxazole;2-tert-butyl-1H-quinolin-4-one;2-tert-butyl-1,4,5-trimethylbenzimidazole;N,N-dimethylethanamine;tris(N,N-dimethylmethanamine);hexakis(2,2-dimethylpropane);ethane;1H-indole;methane;tris(2-methylpropane);6-methyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;pyridazine;bis(pyridine);1,2,5-thiadiazole;1,5,6-trimethyl-2-propan-2-ylbenzimidazole
CID 157144079
1H-benzimidazole;1-benzofuran;2-benzofuran;2H-1,3-benzoxazine;2H-1,4-benzoxazine;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;2H-chromene;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1H-indazole;1H-indole;3H-indole;1H-isochromene;2H-isoindole;isoquinoline;quinazoline;quinoline;quinoxaline
CID 157286707
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 157309391
furo[2,3-c]pyridine;furo[3,2-c]pyridine;3H-imidazo[4,5-c]pyridine;[1,2]oxazolo[4,3-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine
CID 157336686
2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)
CID 157356107
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 157477533
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzoxazole;1,3-benzoxazole;cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
CID 157558154
furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;furo[2,3-d]pyridazine;furo[3,2-d]pyrimidine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);bis(2H-imidazo[4,5-b]pyridine);bis(5H-imidazo[4,5-c]pyridazine);2H-imidazo[4,5-c]pyridine;bis(3H-imidazo[4,5-c]pyridine);1H-imidazo[4,5-d]pyridazine;methane;[1,2]oxazolo[4,5-b]pyrazine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,2]oxazolo[5,4-d]pyrimidine;bis(7H-purine);1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;pyrrolo[2,1-f][1,2,4]triazine
CID 157575894
5-tert-butyl-1H-[1]benzofuro[2,3-c]pyrrole;7-tert-butyl-1,2-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-1,2-dihydroisoquinoline;8-tert-butyl-3,4-dihydroquinoline;7-tert-butyl-1H-indazole;4-tert-butyl-1H-isoindole;5-tert-butylisoquinoline;5-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CID 157614591

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole (CID 157181921) is 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole is CC(C)(C)c1cc2n(n1)CCC2.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccon1.CC(C)(C)c1cnc2[nH]ccc2n1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1n[nH]c2c1CCCC2.CC(C)(C)c1ncccn1.CC(C)(C)c1noc2ccccc12.COc1ccc2c(c1)C=C(C(C)(C)C)C2.COc1cncc(C(C)(C)C)n1.COc1nccc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cncc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cn1nc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is AOQWSSBZAZRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C12H16N2.C11H18N2.C11H13NO.C10H13N3.C10H16N2.2C9H14N2O.C9H14N2.6C8H12N2.2C8H13NO.C7H12N2O.C7H11NO/c1-14(2,3)12-7-10-5-6-13(15-4)9-11(10)8-12;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-10(2,3)8-6-12-9-7(13-8)4-5-11-9;1-10(2,3)9-7-8-5-4-6-12(8)11-9;1-9(2,3)7-5-10-6-8(11-7)12-4;1-9(2,3)7-5-6-10-8(11-7)12-4;1-7-5-10-6-8(11-7)9(2,3)4;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-4-5-9-8-6/h5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;4-7H2,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12);7H,4-6H2,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;6*4-6H,1-3H3;2*5H,1-4H3;1-4H3;4-5H,1-3H3.
What are the key properties of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?
3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 2927.18 g/mol, XLogP of 41.15, 3 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 157181921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).