bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine

C138H123Cl2F11N18O6S5 — CID 158417103

IUPACbis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCC1=Nc2ccc(C)cc2C1.CC1NC=C(c2ccncc2)S1.CC1NC=C(c2ccncc2)S1.CSC1=Nc2ncccc2C1.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(F)cc1.Cc1ccc2ccccc2c1.Cc1ccc2oc(C)nc2c1.Cc1nc2cc(-c3ccccc3)ccc2o1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2ccc(F)cc2o1.Cc1nc2ccc(F)cc2o1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H11NO.C11H10.C10H11N.2C9H10N2S.C9H9NO.2C8H6ClNO.2C8H6FNO.2C8H6FNS.C8H8N2S.C7H6F3N.C7H7F.C6H5F3N2/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-7-11-6-9(12-7)8-2-4-10-5-3-8;1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-5-10-7-4-6(9)2-3-8(7)11-5;4*1-5-10-7-3-2-6(9)4-8(7)11-5;1-11-7-5-6-3-2-4-9-8(6)10-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6-2-4-7(8)5-3-6;1-4-10-3-2-5(11-4)6(7,8)9/h2-9H,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*2-7,11H,1H3;3-5H,1-2H3;6*2-4H,1H3;2-4H,5H2,1H3;2-4H,1H3;2-5H,1H3;2-3H,1H3
InChIKeyHAAKKCMLYFDOCH-UHFFFAOYSA-N
MW2569.84 g/mol
LogP40.16
Rot. Bonds3

About bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine

bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine (PubChem CID 158417103) has the molecular formula C138H123Cl2F11N18O6S5 and a molecular weight of 2569.84 g/mol. Its IUPAC name is bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namebis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
PubChem CID158417103
Molecular FormulaC138H123Cl2F11N18O6S5
Molecular Weight2569.84 g/mol
Exact Mass2566.77
IUPAC Namebis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCC1=Nc2ccc(C)cc2C1.CC1NC=C(c2ccncc2)S1.CC1NC=C(c2ccncc2)S1.CSC1=Nc2ncccc2C1.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(F)cc1.Cc1ccc2ccccc2c1.Cc1ccc2oc(C)nc2c1.Cc1nc2cc(-c3ccccc3)ccc2o1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2ccc(F)cc2o1.Cc1nc2ccc(F)cc2o1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H11NO.C11H10.C10H11N.2C9H10N2S.C9H9NO.2C8H6ClNO.2C8H6FNO.2C8H6FNS.C8H8N2S.C7H6F3N.C7H7F.C6H5F3N2/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-7-11-6-9(12-7)8-2-4-10-5-3-8;1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-5-10-7-4-6(9)2-3-8(7)11-5;4*1-5-10-7-3-2-6(9)4-8(7)11-5;1-11-7-5-6-3-2-4-9-8(6)10-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6-2-4-7(8)5-3-6;1-4-10-3-2-5(11-4)6(7,8)9/h2-9H,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*2-7,11H,1H3;3-5H,1-2H3;6*2-4H,1H3;2-4H,5H2,1H3;2-4H,1H3;2-5H,1H3;2-3H,1H3
InChIKeyHAAKKCMLYFDOCH-UHFFFAOYSA-N
XLogP40.16
TPSA308.08 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds3
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.84
LogP ≤ 540.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

CID 157666132
CID 157666132
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
CID 158262094
CID 158262094
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yl-4H-pyrazol-1-ium;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylthieno[2,3-c]pyridine;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 158335918
N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;2-chloro-N-[5-[5-(trifluoromethyl)-2,1,3-benzothiadiazol-6-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[5-(trifluoromethyl)-2,1,3-benzothiadiazol-6-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[5-(trifluoromethyl)-2,1,3-benzothiadiazol-6-yl]-2-pyridinyl]benzamide
CID 158486070
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)
CID 159625514
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
CID 160100357
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
CID 160352206
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine (CID 158417103) is bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine is CC1=Nc2ccc(C)cc2C1.CC1NC=C(c2ccncc2)S1.CC1NC=C(c2ccncc2)S1.CSC1=Nc2ncccc2C1.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(F)cc1.Cc1ccc2ccccc2c1.Cc1ccc2oc(C)nc2c1.Cc1nc2cc(-c3ccccc3)ccc2o1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2cc(Cl)ccc2o1.Cc1nc2ccc(F)cc2o1.Cc1nc2ccc(F)cc2o1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nccc(C(F)(F)F)n1.
What is the InChIKey of bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is HAAKKCMLYFDOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.C11H10.C10H11N.2C9H10N2S.C9H9NO.2C8H6ClNO.2C8H6FNO.2C8H6FNS.C8H8N2S.C7H6F3N.C7H7F.C6H5F3N2/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-7-11-6-9(12-7)8-2-4-10-5-3-8;1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-5-10-7-4-6(9)2-3-8(7)11-5;4*1-5-10-7-3-2-6(9)4-8(7)11-5;1-11-7-5-6-3-2-4-9-8(6)10-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6-2-4-7(8)5-3-6;1-4-10-3-2-5(11-4)6(7,8)9/h2-9H,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*2-7,11H,1H3;3-5H,1-2H3;6*2-4H,1H3;2-4H,5H2,1H3;2-4H,1H3;2-5H,1H3;2-3H,1H3.
What are the key properties of bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine?
bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 2569.84 g/mol, XLogP of 40.16, 3 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158417103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).