7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene

C224H307Cl2N29O5S5 — CID 161362973

IUPAC7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESC=C1C=CC(Cl)=CN1C(C)(C)C.C=CCC(=O)Nc1ncc(C)c(C(C)(C)C)n1.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)s1.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.Cc1nc(N)ncc1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/C13H19N3O.3C13H15N.C12H16N2O.C12H16N2.C12H14N2.C12H15NO.C11H14N2.C11H13NO.C10H14ClN.C10H14O.2C9H15N3.2C9H13N.C9H14S.C8H11ClS.C8H12S.C7H12N2.2C7H11NS/c1-6-7-10(17)15-12-14-8-9(2)11(16-12)13(3,4)5;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8-5-6-9(11)7-12(8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-6-7(9(2,3)4)5-11-8(10)12-6;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h6,8H,1,7H2,2-5H3,(H,14,15,16,17);3*4-9H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,1H2,2-4H3;4-6H,7H2,1-3H3;2*5H,1-4H3,(H2,10,11,12);2*4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3
InChIKeyVPKWEHIIBZKNKV-UHFFFAOYSA-N
MW3717.36 g/mol
LogP62.09
Rot. Bonds4

About 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene

7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene (PubChem CID 161362973) has the molecular formula C224H307Cl2N29O5S5 and a molecular weight of 3717.36 g/mol. Its IUPAC name is 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene.

Molecular Properties

Compound Name7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
PubChem CID161362973
Molecular FormulaC224H307Cl2N29O5S5
Molecular Weight3717.36 g/mol
Exact Mass3713.26
IUPAC Name7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESC=C1C=CC(Cl)=CN1C(C)(C)C.C=CCC(=O)Nc1ncc(C)c(C(C)(C)C)n1.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)s1.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.Cc1nc(N)ncc1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/C13H19N3O.3C13H15N.C12H16N2O.C12H16N2.C12H14N2.C12H15NO.C11H14N2.C11H13NO.C10H14ClN.C10H14O.2C9H15N3.2C9H13N.C9H14S.C8H11ClS.C8H12S.C7H12N2.2C7H11NS/c1-6-7-10(17)15-12-14-8-9(2)11(16-12)13(3,4)5;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8-5-6-9(11)7-12(8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-6-7(9(2,3)4)5-11-8(10)12-6;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h6,8H,1,7H2,2-5H3,(H,14,15,16,17);3*4-9H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,1H2,2-4H3;4-6H,7H2,1-3H3;2*5H,1-4H3,(H2,10,11,12);2*4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3
InChIKeyVPKWEHIIBZKNKV-UHFFFAOYSA-N
XLogP62.09
TPSA470.81 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds4
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003717.36
LogP ≤ 562.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;3-(2-chlorophenyl)-5-methyl-1,2-oxazole;3-(4-chlorophenyl)-5-methyl-1,2-oxazole;1-(2,4-dichlorophenyl)-3,5-dimethyl-1,2,4-triazole;1,3-dimethylquinolin-4-one;3-(4-fluorophenyl)-5-methyl-1,2-oxazole;5-methoxy-3-methyl-1H-indole;7-methoxy-3-methyl-1H-indole;4-methoxy-2-methylquinoline;3-methyl-5-(3-methylphenyl)-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-5-phenyl-1,3-oxazole;5-methyl-3-phenyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;2-methyl-5-(trifluoromethoxy)-1H-indole;3-methyl-2-(trifluoromethyl)-1,8-naphthyridine
CID 159091836
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746
1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-indole;naphthalene;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;bis(1H-pyrrole);2H-pyrrole;3H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157356887
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
3-chloro-2,6-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene
CID 157369529
methane;bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157417262
5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;5-tert-butyl-2H-indene;6-tert-butyl-1H-indole;bis(6-tert-butyl-3H-indole);6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 157425411
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(5-tert-butyl-2,3-dihydro-1H-indene);5-tert-butyl-1H-indazole;3-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 157444548
1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
CID 157477737
2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;methylcyclohexane;5-methyl-2,3-dihydro-1H-indene;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;6-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;toluene
CID 157592727
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;bis(1H-indole);1,2-oxazole;1,3-oxazole;phthalazine;pyrazine;1H-pyrazole;3H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
CID 157675666
1H-benzimidazole;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;isoquinoline;methane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;bis(3H-pyrrole);quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157719527

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The IUPAC name of 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene (CID 161362973) is 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene.
What is the SMILES notation for 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The canonical SMILES for 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene is C=C1C=CC(Cl)=CN1C(C)(C)C.C=CCC(=O)Nc1ncc(C)c(C(C)(C)C)n1.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)s1.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.Cc1nc(N)ncc1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12.
What is the InChIKey of 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The InChIKey is VPKWEHIIBZKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.3C13H15N.C12H16N2O.C12H16N2.C12H14N2.C12H15NO.C11H14N2.C11H13NO.C10H14ClN.C10H14O.2C9H15N3.2C9H13N.C9H14S.C8H11ClS.C8H12S.C7H12N2.2C7H11NS/c1-6-7-10(17)15-12-14-8-9(2)11(16-12)13(3,4)5;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8-5-6-9(11)7-12(8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-6-7(9(2,3)4)5-11-8(10)12-6;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h6,8H,1,7H2,2-5H3,(H,14,15,16,17);3*4-9H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,1H2,2-4H3;4-6H,7H2,1-3H3;2*5H,1-4H3,(H2,10,11,12);2*4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3.
What are the key properties of 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene has a molecular weight of 3717.36 g/mol, XLogP of 62.09, 4 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene is sourced from PubChem (CID 161362973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).