acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane

C141H192F13N11O6 — CID 161193440

IUPACacetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane
SMILESCC.CC#N.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)F.CC(F)(F)F.CCC(F)(F)F.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccccc1.c1ccncc1.c1cnc2c(c1)CCN2.c1ncon1
InChIInChI=1S/4C13H9NO.C8H7NO.C7H8N2.2C7H8.C6H6.C5H5N.8C4H10.C3H5F3.2C2H3F3.C2H2N2O.C2H3N.C2H6.4CH3F/c4*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-6-9-7-4-2-3-5-8(7)10-6;1-2-6-3-5-9-7(6)8-4-1;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;8*1-4(2)3;1-2-3(4,5)6;2*1-2(3,4)5;1-3-2-5-4-1;1-2-3;5*1-2/h4*1-9H;2-5H,1H3;1-2,4H,3,5H2,(H,8,9);2*2-6H,1H3;1-6H;1-5H;8*4H,1-3H3;2H2,1H3;2*1H3;1-2H;1H3;1-2H3;4*1H3
InChIKeyUUAIZIDFGYIHKF-UHFFFAOYSA-N
MW2384.13 g/mol
LogP46.29
Rot. Bonds4

About acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane

acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane (PubChem CID 161193440) has the molecular formula C141H192F13N11O6 and a molecular weight of 2384.13 g/mol. Its IUPAC name is acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane.

Molecular Properties

Compound Nameacetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane
PubChem CID161193440
Molecular FormulaC141H192F13N11O6
Molecular Weight2384.13 g/mol
Exact Mass2382.48
IUPAC Nameacetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane
SMILESCC.CC#N.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)F.CC(F)(F)F.CCC(F)(F)F.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccccc1.c1ccncc1.c1cnc2c(c1)CCN2.c1ncon1
InChIInChI=1S/4C13H9NO.C8H7NO.C7H8N2.2C7H8.C6H6.C5H5N.8C4H10.C3H5F3.2C2H3F3.C2H2N2O.C2H3N.C2H6.4CH3F/c4*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-6-9-7-4-2-3-5-8(7)10-6;1-2-6-3-5-9-7(6)8-4-1;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;8*1-4(2)3;1-2-3(4,5)6;2*1-2(3,4)5;1-3-2-5-4-1;1-2-3;5*1-2/h4*1-9H;2-5H,1H3;1-2,4H,3,5H2,(H,8,9);2*2-6H,1H3;1-6H;1-5H;8*4H,1-3H3;2H2,1H3;2*1H3;1-2H;1H3;1-2H3;4*1H3
InChIKeyUUAIZIDFGYIHKF-UHFFFAOYSA-N
XLogP46.29
TPSA230.67 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002384.13
LogP ≤ 546.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane 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

benzene;1,1'-biphenyl;2,2-difluoropropane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2,2-dimethylpropane;ethane;N-ethyl-N-(2-phenylethyl)acetamide;1-fluoro-2,2-dimethylpropane;fluoromethane;2-methyl-1,3-benzoxazole;methylcyclopropane;undecakis(2-methylpropane);pentakis(1,2,4-oxadiazole);2-phenyl-1,3-benzoxazole;pyridine;toluene;1,1,1-trifluoroethane;trifluoro(methoxy)methane;trifluoromethylbenzene;1,1,1-trifluoropropane
CID 157769828
2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole
CID 158060928
acetonitrile;5-azaspiro[2.4]heptane;benzene;1,1'-biphenyl;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;N-ethyl-N-(2-phenylethyl)acetamide;fluoromethane;bis(2-methyl-1,3-benzoxazole);dodecakis(2-methylpropane);3-methylpyrrolidine;1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);trifluoro(methoxy)methane;trifluoromethylbenzene;1,1,1-trifluoropropane
CID 158439672
3-(3,5-dimethylphenyl)-1-[(Z)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(trifluoromethoxy)-1,2,5-thiadiazole
CID 158536431
7-Propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxymethyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methoxymethyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile
CID 158538481
2-azaspiro[3.3]heptane;bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);tridecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;oxane;tris(2-phenyl-1,3-benzoxazole);spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane
CID 159029927
CID 159377111
CID 159377111
Bis(2-azaspiro[3.4]octane);3-tert-butyl-5-phenyl-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;bis(2-methyl-1,3-benzoxazole);decakis(2-methylpropane);morpholine;tris(2-phenyl-1,3-benzoxazole);bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane
CID 159399501
1,1'-biphenyl;2,2-dimethylpropane;ethane;N-ethyl-N-(2-phenylethyl)acetamide;1-fluoro-2,2-dimethylpropane;fluoromethane;tris(2-methyl-1,3-benzoxazole);methylcyclopropane;decakis(2-methylpropane);2-methylpropan-2-ol;tetrakis(1,2,4-oxadiazole);tris(pyrrolidine);spiro[2.4]heptane;toluene;trifluoro(methoxy)methane;trifluoromethylbenzene
CID 159674860
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 160059235
bis(2-azaspiro[3.4]octane);chloromethane;5-(2,2-dimethylpropyl)-3-phenyl-1,2,4-oxadiazole;ethane;fluoromethane;tris(2-methyl-1,3-benzoxazole);undecakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;morpholine;2-phenyl-3a,7a-dihydro-1,3-benzoxazole;bis(2-phenyl-1,3-benzoxazole);3-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole;spiro[3.3]heptane;bis(spiro[3.4]octane);toluene;1,1,1-trifluoroethane
CID 160129864
Tert-butyl 2-[(7-fluoro-1,3-benzoxazol-2-yl)amino]-3-[[4-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-3-oxopropyl]benzoyl]amino]propanoate;tert-butyl 2-[(7-fluoro-1,3-benzoxazol-2-yl)amino]-3-[[4-[3-oxo-3-[(5-phenylmethoxypyrimidin-2-yl)amino]propyl]benzoyl]amino]propanoate;2-[(7-fluoro-1,3-benzoxazol-2-yl)amino]-3-[[4-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[4-[[2-[(7-fluoro-1,3-benzoxazol-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]phenyl]propanoic acid;5-phenylmethoxypyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 161988484

Frequently Asked Questions

What is the IUPAC name of acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane?
The IUPAC name of acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane (CID 161193440) is acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane.
What is the SMILES notation for acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane?
The canonical SMILES for acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane is CC.CC#N.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)F.CC(F)(F)F.CCC(F)(F)F.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccccc1.c1ccncc1.c1cnc2c(c1)CCN2.c1ncon1.
What is the InChIKey of acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane?
The InChIKey is UUAIZIDFGYIHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9NO.C8H7NO.C7H8N2.2C7H8.C6H6.C5H5N.8C4H10.C3H5F3.2C2H3F3.C2H2N2O.C2H3N.C2H6.4CH3F/c4*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-6-9-7-4-2-3-5-8(7)10-6;1-2-6-3-5-9-7(6)8-4-1;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;8*1-4(2)3;1-2-3(4,5)6;2*1-2(3,4)5;1-3-2-5-4-1;1-2-3;5*1-2/h4*1-9H;2-5H,1H3;1-2,4H,3,5H2,(H,8,9);2*2-6H,1H3;1-6H;1-5H;8*4H,1-3H3;2H2,1H3;2*1H3;1-2H;1H3;1-2H3;4*1H3.
What are the key properties of acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane?
acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane has a molecular weight of 2384.13 g/mol, XLogP of 46.29, 4 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;benzene;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;fluoromethane;2-methyl-1,3-benzoxazole;octakis(2-methylpropane);1,2,4-oxadiazole;tetrakis(2-phenyl-1,3-benzoxazole);pyridine;toluene;bis(1,1,1-trifluoroethane);1,1,1-trifluoropropane is sourced from PubChem (CID 161193440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).