7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine

C140H167N21O6S — CID 158131660

IUPAC7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
SMILESCC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)C1=NC2=CC=NC(=O)C2C=C1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cccc(-c2cnco2)c1.CCN1C(=O)CSc2ccc(C(C)C)cc21.CCn1c(C(C)C)cc2ccc(C#N)cc21.Cc1nc2cnccc2n1-c1ccc(C(C)C)cc1.Cc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17N3.C14H16N2.2C13H16N2.C13H17NOS.C13H17NO.C12H15N3.C12H15NO2.C12H13NO.C11H13N3.C11H12N2O/c1-11(2)13-4-6-14(7-5-13)19-12(3)18-15-10-17-9-8-16(15)19;1-4-16-13(10(2)3)8-12-6-5-11(9-15)7-14(12)16;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-4-14-11-7-10(9(2)3)5-6-12(11)16-8-13(14)15;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14/h4-11H,1-3H3;5-8,10H,4H2,1-3H3;2*4-10H,1-3H3;5-7,9H,4,8H2,1-3H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3-8H,1-2H3
InChIKeyFSVRXUDVFXMQRU-UHFFFAOYSA-N
MW2272.08 g/mol
LogP32.82
Rot. Bonds15

About 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine (PubChem CID 158131660) has the molecular formula C140H167N21O6S and a molecular weight of 2272.08 g/mol. Its IUPAC name is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
PubChem CID158131660
Molecular FormulaC140H167N21O6S
Molecular Weight2272.08 g/mol
Exact Mass2270.31
IUPAC Name7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
SMILESCC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)C1=NC2=CC=NC(=O)C2C=C1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cccc(-c2cnco2)c1.CCN1C(=O)CSc2ccc(C(C)C)cc21.CCn1c(C(C)C)cc2ccc(C#N)cc21.Cc1nc2cnccc2n1-c1ccc(C(C)C)cc1.Cc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17N3.C14H16N2.2C13H16N2.C13H17NOS.C13H17NO.C12H15N3.C12H15NO2.C12H13NO.C11H13N3.C11H12N2O/c1-11(2)13-4-6-14(7-5-13)19-12(3)18-15-10-17-9-8-16(15)19;1-4-16-13(10(2)3)8-12-6-5-11(9-15)7-14(12)16;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-4-14-11-7-10(9(2)3)5-6-12(11)16-8-13(14)15;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14/h4-11H,1-3H3;5-8,10H,4H2,1-3H3;2*4-10H,1-3H3;5-7,9H,4,8H2,1-3H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3-8H,1-2H3
InChIKeyFSVRXUDVFXMQRU-UHFFFAOYSA-N
XLogP32.82
TPSA322.91 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.08
LogP ≤ 532.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine with MolForge

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Related Compounds

2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
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
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
CID 157061828
6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;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-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695
4-tert-butyl-1H-pyrazole;cumene;ethane;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,6-dihydropyridazine;3-propan-2-yl-1,2-dihydropyridine;5-propan-2-yl-1,2-dihydropyridine;3-propan-2-ylfuran;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1,2-thiazole
CID 157219098
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157309593
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
1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;heptakis(2-methylpropane);3-methyl-3H-pyrrole;1,3-oxazole;quinoline;1,3-thiazole
CID 157512681

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine (CID 158131660) is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine is CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)C1=NC2=CC=NC(=O)C2C=C1.CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1cccc(-c2cnco2)c1.CCN1C(=O)CSc2ccc(C(C)C)cc21.CCn1c(C(C)C)cc2ccc(C#N)cc21.Cc1nc2cnccc2n1-c1ccc(C(C)C)cc1.Cc1nccn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
The InChIKey is FSVRXUDVFXMQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.C14H16N2.2C13H16N2.C13H17NOS.C13H17NO.C12H15N3.C12H15NO2.C12H13NO.C11H13N3.C11H12N2O/c1-11(2)13-4-6-14(7-5-13)19-12(3)18-15-10-17-9-8-16(15)19;1-4-16-13(10(2)3)8-12-6-5-11(9-15)7-14(12)16;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-4-14-11-7-10(9(2)3)5-6-12(11)16-8-13(14)15;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14/h4-11H,1-3H3;5-8,10H,4H2,1-3H3;2*4-10H,1-3H3;5-7,9H,4,8H2,1-3H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3-8H,1-2H3.
What are the key properties of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine?
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine has a molecular weight of 2272.08 g/mol, XLogP of 32.82, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 158131660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).