2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene

C228H303F13N20O16 — CID 165047066

IUPAC2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC(C)c1nc2c(F)c(F)c(F)c(F)c2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2ccncc2o1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2ncccc2o1.CCC.CF.CF.CF.Cc1c(C)c(C(F)(F)F)c2oc(C(C)C)nc2c1C(F)(F)F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H13F6NO.C10H7F4NO.10C10H11NO.4C9H10N2O.5C7H8.C5H12.C4H10.C3H8.9C2H6.3CH3F/c1-5(2)12-21-10-8(13(15,16)17)6(3)7(4)9(11(10)22-12)14(18,19)20;1-3(2)10-15-8-6(13)4(11)5(12)7(14)9(8)16-10;10*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;5*1-7-5-3-2-4-6-7;1-5(2,3)4;1-4(2)3;1-3-2;12*1-2/h5H,1-4H3;3H,1-2H3;10*3-7H,1-2H3;4*3-6H,1-2H3;5*2-6H,1H3;1-4H3;4H,1-3H3;3H2,1-2H3;9*1-2H3;3*1H3
InChIKeyPBRPQEJLZYIIDI-UHFFFAOYSA-N
MW3827.03 g/mol
LogP74.11
Rot. Bonds16

About 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene

2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene (PubChem CID 165047066) has the molecular formula C228H303F13N20O16 and a molecular weight of 3827.03 g/mol. Its IUPAC name is 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene.

Molecular Properties

Compound Name2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene
PubChem CID165047066
Molecular FormulaC228H303F13N20O16
Molecular Weight3827.03 g/mol
Exact Mass3824.33
IUPAC Name2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC(C)c1nc2c(F)c(F)c(F)c(F)c2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2ccncc2o1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2ncccc2o1.CCC.CF.CF.CF.Cc1c(C)c(C(F)(F)F)c2oc(C(C)C)nc2c1C(F)(F)F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H13F6NO.C10H7F4NO.10C10H11NO.4C9H10N2O.5C7H8.C5H12.C4H10.C3H8.9C2H6.3CH3F/c1-5(2)12-21-10-8(13(15,16)17)6(3)7(4)9(11(10)22-12)14(18,19)20;1-3(2)10-15-8-6(13)4(11)5(12)7(14)9(8)16-10;10*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;5*1-7-5-3-2-4-6-7;1-5(2,3)4;1-4(2)3;1-3-2;12*1-2/h5H,1-4H3;3H,1-2H3;10*3-7H,1-2H3;4*3-6H,1-2H3;5*2-6H,1H3;1-4H3;4H,1-3H3;3H2,1-2H3;9*1-2H3;3*1H3
InChIKeyPBRPQEJLZYIIDI-UHFFFAOYSA-N
XLogP74.11
TPSA468.04 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003827.03
LogP ≤ 574.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene with MolForge

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Related Compounds

6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
[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
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
CID 157457960
1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;N,N-diethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;N,N-dimethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[2,3-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[2,3-c]pyridin-2-one
CID 157515725
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 157894266

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene?
The IUPAC name of 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene (CID 165047066) is 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene.
What is the SMILES notation for 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene?
The canonical SMILES for 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC(C)c1nc2c(F)c(F)c(F)c(F)c2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2ccncc2o1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2ncccc2o1.CCC.CF.CF.CF.Cc1c(C)c(C(F)(F)F)c2oc(C(C)C)nc2c1C(F)(F)F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene?
The InChIKey is PBRPQEJLZYIIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6NO.C10H7F4NO.10C10H11NO.4C9H10N2O.5C7H8.C5H12.C4H10.C3H8.9C2H6.3CH3F/c1-5(2)12-21-10-8(13(15,16)17)6(3)7(4)9(11(10)22-12)14(18,19)20;1-3(2)10-15-8-6(13)4(11)5(12)7(14)9(8)16-10;10*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;5*1-7-5-3-2-4-6-7;1-5(2,3)4;1-4(2)3;1-3-2;12*1-2/h5H,1-4H3;3H,1-2H3;10*3-7H,1-2H3;4*3-6H,1-2H3;5*2-6H,1H3;1-4H3;4H,1-3H3;3H2,1-2H3;9*1-2H3;3*1H3.
What are the key properties of 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene?
2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene has a molecular weight of 3827.03 g/mol, XLogP of 74.11, 16 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;5,6-dimethyl-2-propan-2-yl-4,7-bis(trifluoromethyl)-1,3-benzoxazole;ethane;fluoromethane;2-methylpropane;propane;decakis(2-propan-2-yl-1,3-benzoxazole);2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrafluoro-2-propan-2-yl-1,3-benzoxazole;toluene is sourced from PubChem (CID 165047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).