6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine

C93H122N14O3 — CID 159901773

IUPAC6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine
SMILESCC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1cnccn1.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1cc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H16N2.C12H15NO.C11H14N2.2C11H13NO.C10H13N3.2C9H13N.C8H12N2/c1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h5-8H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyNWAYOMYZVZZTLW-UHFFFAOYSA-N
MW1484.09 g/mol
LogP23.75
Rot. Bonds

About 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine

6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine (PubChem CID 159901773) has the molecular formula C93H122N14O3 and a molecular weight of 1484.09 g/mol. Its IUPAC name is 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine.

Molecular Properties

Compound Name6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine
PubChem CID159901773
Molecular FormulaC93H122N14O3
Molecular Weight1484.09 g/mol
Exact Mass1482.98
IUPAC Name6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine
SMILESCC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1cnccn1.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1cc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H16N2.C12H15NO.C11H14N2.2C11H13NO.C10H13N3.2C9H13N.C8H12N2/c1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h5-8H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyNWAYOMYZVZZTLW-UHFFFAOYSA-N
XLogP23.75
TPSA194.96 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.09
LogP ≤ 523.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine 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-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
CID 157119212
CID 157119212
5-chloro-2-(2,2-dimethylpropyl)pyrimidine;2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;2-(2,2-dimethylpropyl)quinoline;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine
CID 157285930
CID 157404890
CID 157404890
4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 157815435
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158144951
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
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene
CID 159092396
2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
5-chloro-2-(2,2-dimethylpropyl)pyrimidine;2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;2-(2,2-dimethylpropyl)quinoline;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine
CID 159498409
7-Tert-butyl-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;1-(3-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone;4-[2-(3-tert-butylphenyl)-2-oxoethyl]benzonitrile;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 160626214
(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone
CID 160703973

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine?
The IUPAC name of 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine (CID 159901773) is 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine.
What is the SMILES notation for 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine?
The canonical SMILES for 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine is CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1cnccn1.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1cc2ccc(C(C)(C)C)cc2n1.
What is the InChIKey of 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine?
The InChIKey is NWAYOMYZVZZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H15NO.C11H14N2.2C11H13NO.C10H13N3.2C9H13N.C8H12N2/c1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h5-8H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine?
6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine has a molecular weight of 1484.09 g/mol, XLogP of 23.75, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methylindazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine is sourced from PubChem (CID 159901773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).