1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene

C236H290N22O6S — CID 165100531

IUPAC1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1cc2occc2cn1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(n1)C=NC2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2cc[nH]c12.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2cc[nH]c2c1.CC(C)(C)c1cncc2ccoc12.CC(C)(C)c1nccc2ccoc12.c1ccc2oncc2c1
InChIInChI=1S/C13H16.9C12H15N.C12H14O.4C11H14N2.4C11H13NO.C8H12S.C7H5NO/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;4*1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;2*1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)10-5-4-8-6-12-7-9(8)13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-11(2,3)10-6-9-8(7-12-10)4-5-13-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-8(2,3)7-5-4-6-9-7;1-2-4-7-6(3-1)5-8-9-7/h4-5,7-9H,6H2,1-3H3;3*4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7,12H,1-3H3;4-5,7H,6H2,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3;1-5H
InChIKeyYGAIPSCDSNVCRJ-UHFFFAOYSA-N
MW3563.13 g/mol
LogP62.55
Rot. Bonds

About 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene

1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene (PubChem CID 165100531) has the molecular formula C236H290N22O6S and a molecular weight of 3563.13 g/mol. Its IUPAC name is 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene.

Molecular Properties

Compound Name1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene
PubChem CID165100531
Molecular FormulaC236H290N22O6S
Molecular Weight3563.13 g/mol
Exact Mass3560.28
IUPAC Name1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1cc2occc2cn1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(n1)C=NC2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2cc[nH]c12.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2cc[nH]c2c1.CC(C)(C)c1cncc2ccoc12.CC(C)(C)c1nccc2ccoc12.c1ccc2oncc2c1
InChIInChI=1S/C13H16.9C12H15N.C12H14O.4C11H14N2.4C11H13NO.C8H12S.C7H5NO/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;4*1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;2*1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)10-5-4-8-6-12-7-9(8)13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-11(2,3)10-6-9-8(7-12-10)4-5-13-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-8(2,3)7-5-4-6-9-7;1-2-4-7-6(3-1)5-8-9-7/h4-5,7-9H,6H2,1-3H3;3*4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7,12H,1-3H3;4-5,7H,6H2,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3;1-5H
InChIKeyYGAIPSCDSNVCRJ-UHFFFAOYSA-N
XLogP62.55
TPSA367.41 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003563.13
LogP ≤ 562.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde;6-[3-(1,1-difluoroethyl)phenyl]pyridine-2-carbaldehyde;2-ethenyl-6-[2-(trifluoromethyl)phenyl]pyridine;2-ethenyl-6-[4-(trifluoromethyl)phenyl]pyridine;2-(furan-2-yl)pyridine-3-carbaldehyde;2-(furan-3-yl)pyridine-3-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;6-(furan-3-yl)pyridine-2-carbaldehyde;2-(1H-pyrazol-5-yl)pyridine-3-carbaldehyde;2-thiophen-3-ylpyridine-3-carbaldehyde;2-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde;2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(trifluoromethyl)thiophen-2-yl]pyridine-3-carbaldehyde
CID 159638819
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-3H-2-benzofuran-1-one;1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine;4,7-di(propan-2-yl)furo[2,3-c]pyridine;4,7-di(propan-2-yl)-3H-furo[3,4-c]pyridin-1-one;1,4-di(propan-2-yl)-7H-furo[3,4-d]pyridazin-5-one;4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,2,5]oxadiazolo[3,4-d]pyridazine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;methane;3-methoxy-2,5-di(propan-2-yl)pyridine;tris(2-methyl-1,4-di(propan-2-yl)benzene);3-methylidene-4,7-di(propan-2-yl)-1H-furo[3,4-c]pyridine
CID 160801683
CID 161472059
CID 161472059
2-(1-benzofuran-2-yl)-6-ethenylpyridine;2-[3-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;6-[3-(1,1-difluoroethyl)phenyl]pyridine-2-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-3-carbaldehyde;2-ethenyl-6-(furan-2-yl)pyridine;2-ethenyl-6-(furan-3-yl)pyridine;2-ethenyl-6-[2-(trifluoromethyl)phenyl]pyridine;2-ethenyl-6-[4-(trifluoromethyl)phenyl]pyridine;2-(furan-2-yl)pyridine-3-carbaldehyde;2-(furan-3-yl)pyridine-3-carbaldehyde;2-(1H-pyrazol-5-yl)pyridine-3-carbaldehyde;2-thiophen-3-ylpyridine-3-carbaldehyde;2-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 162168779
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
2-[7-(furan-2-yl)-1-(1H-indol-2-yl)-3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-ylisoindol-2-yl]-1,3-oxazole
CID 141049907
2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole
CID 141247465
2-[2-[4-acridin-1-yl-5-(9H-carbazol-1-yl)-6-cinnolin-3-ylpyrimidin-2-yl]-8a-(1H-benzimidazol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-benzotriazol-4-yl)-1-(furan-2-yl)-3-(1H-indol-2-yl)-4-(1H-pyrazol-3-yl)-5-quinoxalin-2-yl-5-thiophen-2-ylpyrrolidin-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-4a-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-4-(1H-indol-2-yl)-8-(2H-isoindol-1-yl)-6-isoquinolin-1-yl-5-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-7-quinolin-2-ylquinolin-8-yl]-1,3-benzoxazole
CID 141734411
2,3-Ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
CID 157057682
2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-1H-indol-7-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157201614
2-tert-butylfuran;3-tert-butyloxolane;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157324493
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157360541

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene?
The IUPAC name of 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene (CID 165100531) is 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene.
What is the SMILES notation for 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene?
The canonical SMILES for 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene is CC(C)(C)c1cc2occc2cn1.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(n1)C=NC2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2cc[nH]c12.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2cc[nH]c2c1.CC(C)(C)c1cncc2ccoc12.CC(C)(C)c1nccc2ccoc12.c1ccc2oncc2c1.
What is the InChIKey of 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene?
The InChIKey is YGAIPSCDSNVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.9C12H15N.C12H14O.4C11H14N2.4C11H13NO.C8H12S.C7H5NO/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;4*1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;2*1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)10-5-4-8-6-12-7-9(8)13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-11(2,3)10-6-9-8(7-12-10)4-5-13-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-8(2,3)7-5-4-6-9-7;1-2-4-7-6(3-1)5-8-9-7/h4-5,7-9H,6H2,1-3H3;3*4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4,6-8H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7,12H,1-3H3;4-5,7H,6H2,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3;1-5H.
What are the key properties of 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene?
1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene has a molecular weight of 3563.13 g/mol, XLogP of 62.55, 0 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;7-tert-butyl-1-benzofuran;6-tert-butyl-1,2-benzoxazole;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-5H-cyclopenta[b]pyridine;6-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);tris(5-tert-butyl-1H-isoindole);6-tert-butyl-1H-isoindole;2-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene is sourced from PubChem (CID 165100531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).