cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene

C173H206N32O16 — CID 157091264

About cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene

cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene (PubChem CID 157091264) has the molecular formula C173H206N32O16 and a molecular weight of 2989.76 g/mol. Its IUPAC name is cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene.

Molecular Properties

• Compound Name: cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene
• PubChem CID: 157091264
• Molecular Formula: C173H206N32O16
• Molecular Weight: 2989.76 g/mol
• Exact Mass: 2987.63
• IUPAC Name: cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene
• SMILES: C.C.CC(=O)c1ccccc1.CC(C)c1ccccc1.CCCc1ccccc1.CN1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)on1.Cc1cn(-c2ccccc2)nn1.Cc1coc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)o1.Cc1noc(-c2ccc3c(c2)CCC3)n1.Cc1noc(-c2ccccc2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCCC(=O)C2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCNC2)n1
• InChI: InChI=1S/C12H12N2O.C12H17N.2C10H9NO.C9H9N3.C9H12N2O2.3C9H8N2O.2C9H14N2O.C9H8N2O.2C9H12.C8H7N3O.C8H8O.C7H11N3O.2C7H10N2O.2CH4/c1-8-13-12(15-14-8)11-6-5-9-3-2-4-10(9)7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;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;1-7(9)8-5-3-2-4-6-8;1-5-9-7(11-10-5)6-2-3-8-4-6;2*1-5-8-7(10-9-5)6-3-2-4-6;;/h5-7H,2-4H2,1H3;2-6,12H,7-10H2,1H3;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;2-5H,1H3;2-6H,1H3;6,8H,2-4H2,1H3;2*6H,2-4H2,1H3;2*1H4
• InChIKey: AERPLIOWJAANMX-UHFFFAOYSA-N
• XLogP: 40.34
• TPSA: 612.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 48
• Rotatable Bonds: 20
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2989.76
LogP ≤ 5	40.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene?

The IUPAC name of cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene (CID 157091264) is cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene.

What is the SMILES notation for cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene?

The canonical SMILES for cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene is C.C.CC(=O)c1ccccc1.CC(C)c1ccccc1.CCCc1ccccc1.CN1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)on1.Cc1cn(-c2ccccc2)nn1.Cc1coc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)o1.Cc1noc(-c2ccc3c(c2)CCC3)n1.Cc1noc(-c2ccccc2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCCC(=O)C2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCNC2)n1.

What is the InChIKey of cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene?

The InChIKey is AERPLIOWJAANMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C12H17N.2C10H9NO.C9H9N3.C9H12N2O2.3C9H8N2O.2C9H14N2O.C9H8N2O.2C9H12.C8H7N3O.C8H8O.C7H11N3O.2C7H10N2O.2CH4/c1-8-13-12(15-14-8)11-6-5-9-3-2-4-10(9)7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;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;1-7(9)8-5-3-2-4-6-8;1-5-9-7(11-10-5)6-2-3-8-4-6;2*1-5-8-7(10-9-5)6-3-2-4-6;;/h5-7H,2-4H2,1H3;2-6,12H,7-10H2,1H3;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;2-5H,1H3;2-6H,1H3;6,8H,2-4H2,1H3;2*6H,2-4H2,1H3;2*1H4.

What are the key properties of cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene?

cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene has a molecular weight of 2989.76 g/mol, XLogP of 40.34, 20 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4-oxadiazole;methane;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-methyl-1-phenyltriazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene is sourced from PubChem (CID 157091264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).