2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

C245H237N33O9S7 — CID 159223156

IUPAC2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2c(c1)Nc1ccccc1S2.Cc1ccc2c(c1)Oc1ncccc1C2.Cc1ccc2c(c1)Sc1ccccc1N2.Cc1ccc2c(n1)Oc1ccccc1C2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2c(c1)Cc1ccccc1O2.Cc1cnc2ccccc2c1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1nccs1
InChIInChI=1S/4C13H11NO.2C13H11NS.4C10H9N.4C9H9N.3C8H7NO.2C6H6N4.3C6H7N.C5H6N2.2C5H6O.2C5H6S.3C4H5NS/c1-9-4-5-10-8-11-3-2-6-14-13(11)15-12(10)7-9;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-9-6-11-7-10-4-2-3-5-12(10)15-13(11)14-8-9;1-9-6-7-11-8-10-4-2-3-5-12(10)15-13(11)14-9;1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)15-13;1-9-6-7-11-13(8-9)15-12-5-3-2-4-10(12)14-11;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2*2-7H,8H2,1H3;2-6,8H,7H2,1H3;2-7H,8H2,1H3;2*2-8,14H,1H3;4*2-7H,1H3;4*2-6,10H,1H3;3*2-5H,1H3;2*2-3H,1H3,(H,7,8,9,10);3*2-5H,1H3;2-4H,1H3;4*2-4H,1H3;3*2-3H,1H3
InChIKeyKRYKLLHAVHLITQ-UHFFFAOYSA-N
MW4012.28 g/mol
LogP65.16
Rot. Bonds

About 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 159223156) has the molecular formula C245H237N33O9S7 and a molecular weight of 4012.28 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID159223156
Molecular FormulaC245H237N33O9S7
Molecular Weight4012.28 g/mol
Exact Mass4008.71
IUPAC Name2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2c(c1)Nc1ccccc1S2.Cc1ccc2c(c1)Oc1ncccc1C2.Cc1ccc2c(c1)Sc1ccccc1N2.Cc1ccc2c(n1)Oc1ccccc1C2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2c(c1)Cc1ccccc1O2.Cc1cnc2ccccc2c1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1nccs1
InChIInChI=1S/4C13H11NO.2C13H11NS.4C10H9N.4C9H9N.3C8H7NO.2C6H6N4.3C6H7N.C5H6N2.2C5H6O.2C5H6S.3C4H5NS/c1-9-4-5-10-8-11-3-2-6-14-13(11)15-12(10)7-9;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-9-6-11-7-10-4-2-3-5-12(10)15-13(11)14-8-9;1-9-6-7-11-8-10-4-2-3-5-12(10)15-13(11)14-9;1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)15-13;1-9-6-7-11-13(8-9)15-12-5-3-2-4-10(12)14-11;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2*2-7H,8H2,1H3;2-6,8H,7H2,1H3;2-7H,8H2,1H3;2*2-8,14H,1H3;4*2-7H,1H3;4*2-6,10H,1H3;3*2-5H,1H3;2*2-3H,1H3,(H,7,8,9,10);3*2-5H,1H3;2-4H,1H3;4*2-4H,1H3;3*2-3H,1H3
InChIKeyKRYKLLHAVHLITQ-UHFFFAOYSA-N
XLogP65.16
TPSA543.67 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004012.28
LogP ≤ 565.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene 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

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;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;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
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
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
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
CID 160156765
CID 160156765
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;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-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[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 161044231
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 159223156) is 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2c(c1)Nc1ccccc1S2.Cc1ccc2c(c1)Oc1ncccc1C2.Cc1ccc2c(c1)Sc1ccccc1N2.Cc1ccc2c(n1)Oc1ccccc1C2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2c(c1)Cc1ccccc1O2.Cc1cnc2ccccc2c1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1nccs1.
What is the InChIKey of 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is KRYKLLHAVHLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H11NO.2C13H11NS.4C10H9N.4C9H9N.3C8H7NO.2C6H6N4.3C6H7N.C5H6N2.2C5H6O.2C5H6S.3C4H5NS/c1-9-4-5-10-8-11-3-2-6-14-13(11)15-12(10)7-9;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-9-6-11-7-10-4-2-3-5-12(10)15-13(11)14-8-9;1-9-6-7-11-8-10-4-2-3-5-12(10)15-13(11)14-9;1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)15-13;1-9-6-7-11-13(8-9)15-12-5-3-2-4-10(12)14-11;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2*2-7H,8H2,1H3;2-6,8H,7H2,1H3;2-7H,8H2,1H3;2*2-8,14H,1H3;4*2-7H,1H3;4*2-6,10H,1H3;3*2-5H,1H3;2*2-3H,1H3,(H,7,8,9,10);3*2-5H,1H3;2-4H,1H3;4*2-4H,1H3;3*2-3H,1H3.
What are the key properties of 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 4012.28 g/mol, XLogP of 65.16, 0 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-5H-chromeno[2,3-b]pyridine;3-methyl-5H-chromeno[2,3-b]pyridine;7-methyl-5H-chromeno[2,3-b]pyridine;8-methyl-5H-chromeno[2,3-b]pyridine;2-methylfuran;3-methylfuran;2-methyl-1H-indole;3-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-10H-phenothiazine;3-methyl-10H-phenothiazine;2-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 159223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).