3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole

C125H162F4N24O12S — CID 157069614

IUPAC3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESC=C1NN=C(C(C)C)O1.CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(F)F)co1.CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccccn2)no1.CC(C)c1nc(C(C)(F)F)n[nH]1.CC(C)c1nnc(-c2ccccn2)s1.CCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.Cc1nnc(C(C)C)o1
InChIInChI=1S/C12H14N2.C12H13NO.C11H13N3.C11H12N2O.C10H11N3O.C10H11N3S.C8H10F2O.2C8H11NO2.C8H13NO.C8H12O.C7H11F2N3.2C6H10N2O/c1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-5(2)7-3-6(4-11-7)8(9)10;2*1-5(2)8-4-7(6(3)10)9-11-8;1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8;1-4(2)5-10-6(12-11-5)7(3,8)9;2*1-4(2)6-8-7-5(3)9-6/h3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;2*3-7H,1-2H3;3-5,8H,1-2H3;2*4-5H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4H,1-3H3,(H,10,11,12);4H,1-3H3;4,7H,3H2,1-2H3
InChIKeyACGSBJMRFUAKPS-UHFFFAOYSA-N
MW2300.89 g/mol
LogP33.90
Rot. Bonds25

About 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole

3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 157069614) has the molecular formula C125H162F4N24O12S and a molecular weight of 2300.89 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID157069614
Molecular FormulaC125H162F4N24O12S
Molecular Weight2300.89 g/mol
Exact Mass2299.25
IUPAC Name3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESC=C1NN=C(C(C)C)O1.CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(F)F)co1.CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccccn2)no1.CC(C)c1nc(C(C)(F)F)n[nH]1.CC(C)c1nnc(-c2ccccn2)s1.CCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.Cc1nnc(C(C)C)o1
InChIInChI=1S/C12H14N2.C12H13NO.C11H13N3.C11H12N2O.C10H11N3O.C10H11N3S.C8H10F2O.2C8H11NO2.C8H13NO.C8H12O.C7H11F2N3.2C6H10N2O/c1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-5(2)7-3-6(4-11-7)8(9)10;2*1-5(2)8-4-7(6(3)10)9-11-8;1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8;1-4(2)5-10-6(12-11-5)7(3,8)9;2*1-4(2)6-8-7-5(3)9-6/h3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;2*3-7H,1-2H3;3-5,8H,1-2H3;2*4-5H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4H,1-3H3,(H,10,11,12);4H,1-3H3;4,7H,3H2,1-2H3
InChIKeyACGSBJMRFUAKPS-UHFFFAOYSA-N
XLogP33.90
TPSA467.44 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002300.89
LogP ≤ 533.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole with MolForge

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Related Compounds

CID 157164204
CID 157164204
CID 158299830
CID 158299830
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 159394231
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine
CID 159630485
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;4-phenyl-2-propan-2-yl-1,3-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 160341818
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 160347898
CID 160615260
CID 160615260
CID 161169787
CID 161169787
3-Benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
CID 161248254
CID 161477868
CID 161477868
2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 162006909
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(furan-2-yl)-1-methylpyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 162287395

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole (CID 157069614) is 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole is C=C1NN=C(C(C)C)O1.CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(F)F)co1.CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccccn2)no1.CC(C)c1nc(C(C)(F)F)n[nH]1.CC(C)c1nnc(-c2ccccn2)s1.CCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.Cc1nnc(C(C)C)o1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is ACGSBJMRFUAKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C12H13NO.C11H13N3.C11H12N2O.C10H11N3O.C10H11N3S.C8H10F2O.2C8H11NO2.C8H13NO.C8H12O.C7H11F2N3.2C6H10N2O/c1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-5(2)7-3-6(4-11-7)8(9)10;2*1-5(2)8-4-7(6(3)10)9-11-8;1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8;1-4(2)5-10-6(12-11-5)7(3,8)9;2*1-4(2)6-8-7-5(3)9-6/h3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;2*3-7H,1-2H3;3-5,8H,1-2H3;2*4-5H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4H,1-3H3,(H,10,11,12);4H,1-3H3;4,7H,3H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole?
3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 2300.89 g/mol, XLogP of 33.90, 25 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-propan-2-yl-1H-1,2,4-triazole;4-(difluoromethyl)-2-propan-2-ylfuran;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 157069614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).