About 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole (PubChem CID 158224333) has the molecular formula C238H273N49O22S
and a molecular weight of 4204.19 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole.
Frequently Asked Questions
What is the IUPAC name of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole?
The IUPAC name of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole (CID 158224333) is 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole?
The canonical SMILES for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole is CC(=O)c1ccccc1.CC(C)c1ccccc1.CCCc1c[nH]c2ccccc12.CCCc1ccccc1.CN1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)on1.Cc1ccc(C2=CCN=C2)cc1.Cc1cn(-c2ccccc2)nn1.Cc1coc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)o1.Cc1noc(-c2ccc3c(c2)OCC3)n1.Cc1noc(-c2ccc3scnc3c2)n1.Cc1noc(-c2ccccc2)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2CC3(CCCCC3)C2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCCC(=O)C2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCNC2)n1.Cc1noc(C2CNC2)n1.Cc1noc(CC2CCCCC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole?
The InChIKey is GDPROHFNJROAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C12H17N.C11H10N2O2.C11H11N.C11H13N.C10H7N3OS.C10H16N2O.2C10H9NO.C9H9N3.C9H12N2O2.3C9H8N2O.2C9H14N2O.C9H8N2O.2C9H12.2C8H7N3O.C8H8O.C7H6N4O.C7H11N3O.C7H10N2O.C6H9N3O/c1-9-13-11(15-14-9)10-7-12(8-10)5-3-2-4-6-12;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-7-12-11(15-13-7)9-3-2-8-4-5-14-10(8)6-9;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-6-12-10(14-13-6)7-2-3-9-8(4-7)11-5-15-9;1-8-11-10(13-12-8)7-9-5-3-2-4-6-9;1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-8-7-12(11-10-8)9-5-3-2-4-6-9;1-6-10-9(13-11-6)7-3-2-4-8(12)5-7;2*1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-7-10-9(11-12-7)8-5-3-2-4-6-8;3*1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-8(2)9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-7(9)8-5-3-2-4-6-8;1-5-10-7(12-11-5)6-2-8-4-9-3-6;1-5-9-7(11-10-5)6-2-3-8-4-6;1-5-8-7(10-9-5)6-3-2-4-6;1-4-8-6(10-9-4)5-2-7-3-5/h10H,2-8H2,1H3;2-6,12H,7-10H2,1H3;2-3,6H,4-5H2,1H3;2-6,8H,7H2,1H3;3-4,6-8,12H,2,5H2,1H3;2-5H,1H3;9H,2-7H2,1H3;3*2-7H,1H3;7H,2-5H2,1H3;3*2-6H,1H3;2*8H,2-6H2,1H3;2-6H,1H3;3-8H,1-2H3;3-5,7-8H,2,6H2,1H3;2*2-5H,1H3;2-6H,1H3;2-4H,1H3;6,8H,2-4H2,1H3;6H,2-4H2,1H3;5,7H,2-3H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole?
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole has a molecular weight of 4204.19 g/mol, XLogP of 53.15, 29 rotatable bonds, 3 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole is sourced from PubChem (CID 158224333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).