About 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (PubChem CID 162104655) has the molecular formula C179H255N37O14S
and a molecular weight of 3181.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.
Frequently Asked Questions
What is the IUPAC name of 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
The IUPAC name of 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (CID 162104655) is 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.
What is the SMILES notation for 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
The canonical SMILES for 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is C#Cc1ccnc(OCCC(C)(C)C)n1.C#Cc1cnc(OCCC(C)(C)C)nc1.CC(C)(C)CC(=O)N1CCN(c2ncccn2)CC1.CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CCOc1nccc(-c2noc(C3CC3)n2)n1.CC(C)(C)CCOc1ncccn1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.
What is the InChIKey of 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
The InChIKey is ZFIOSVDGSAEHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C14H22N4O.C14H17NO.C13H16N2O.C13H22N2O.C12H16N4O.C12H16N4.C12H15N3O.2C12H16N2O.C11H18N2O.C10H16N2O.C10H16N2S.C10H15NO.C9H14N2O/c1-15(2,3)7-9-20-14-16-8-6-11(17-14)12-18-13(21-19-12)10-4-5-10;1-14(2,3)11-12(19)17-7-9-18(10-8-17)13-15-5-4-6-16-13;1-14(2,3)10-12-9-13(15-16-12)11-7-5-4-6-8-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-12(2,3)9-13(4,5)10-16-11-14-7-6-8-15-11;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-5-10-6-8-13-11(14-10)15-9-7-12(2,3)4;1-5-10-8-13-11(14-9-10)15-7-6-12(2,3)4;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)12-7-8-10-5-4-6-11-8/h6,8,10H,4-5,7,9H2,1-3H3;4-6H,7-11H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;6-8H,9-10H2,1-5H3;5-8H,1-4H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;1,6,8H,7,9H2,2-4H3;1,8-9H,6-7H2,2-4H3;7-8H,5-6H2,1-4H3;4,6-7H,5,8H2,1-3H3;7H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?
3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine has a molecular weight of 3181.32 g/mol, XLogP of 40.26, 38 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-4-ethynylpyrimidine;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;3,3-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is sourced from PubChem (CID 162104655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).