cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole

C124H145N25O12 — CID 158016347

IUPACcumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccccc1.CN1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)on1.Cc1coc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)o1.Cc1noc(-c2ccccc2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCNC2)n1
InChIInChI=1S/C12H17N.2C10H9NO.3C9H8N2O.2C9H14N2O.C9H8N2O.C9H12.C8H7N3O.C7H11N3O.2C7H10N2O/c1-13-9-7-12(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;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;1-6-10-8(12-11-6)7-3-2-4-9-5-7;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/h2-6,12H,7-10H2,1H3;2*2-7H,1H3;3*2-6H,1H3;2*8H,2-6H2,1H3;2-6H,1H3;3-8H,1-2H3;2-5H,1H3;6,8H,2-4H2,1H3;2*6H,2-4H2,1H3
InChIKeyFFMZPWPHLJCLOR-UHFFFAOYSA-N
MW2177.69 g/mol
LogP28.82
Rot. Bonds14

About cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole

cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 158016347) has the molecular formula C124H145N25O12 and a molecular weight of 2177.69 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);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Namecumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID158016347
Molecular FormulaC124H145N25O12
Molecular Weight2177.69 g/mol
Exact Mass2176.15
IUPAC Namecumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccccc1.CN1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)on1.Cc1coc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)o1.Cc1noc(-c2ccccc2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCCCC2)n1.Cc1noc(C2CCNC2)n1
InChIInChI=1S/C12H17N.2C10H9NO.3C9H8N2O.2C9H14N2O.C9H8N2O.C9H12.C8H7N3O.C7H11N3O.2C7H10N2O/c1-13-9-7-12(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;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;1-6-10-8(12-11-6)7-3-2-4-9-5-7;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/h2-6,12H,7-10H2,1H3;2*2-7H,1H3;3*2-6H,1H3;2*8H,2-6H2,1H3;2-6H,1H3;3-8H,1-2H3;2-5H,1H3;6,8H,2-4H2,1H3;2*6H,2-4H2,1H3
InChIKeyFFMZPWPHLJCLOR-UHFFFAOYSA-N
XLogP28.82
TPSA469.42 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds14
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.69
LogP ≤ 528.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole 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

5-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one
CID 157244251
1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 157670586
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 157823897
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 158413465
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;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;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 160050178
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;3-tert-butyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;(5-tert-butyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazol-5-amine;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazole;5-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-oxazole;2-tert-butyl-5-piperazin-1-yl-1,3-oxazole;5-tert-butyl-3-(2-piperidin-4-ylethyl)-1,2-oxazole;2-tert-butyl-N-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 161789358
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-5-propan-2-yl-1,2-oxazole;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
CID 162008443
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 165082323
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
CID 157061987
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
3-Cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole
CID 157230146
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide;3-fluoro-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyridin-2-one;3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-5-yl]-1,2-oxazole
CID 157341712

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);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 158016347) is cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
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);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole is CC(C)c1ccccc1.CN1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)on1.Cc1coc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nnc(-c2ccccc2)o1.Cc1nnc(-c2ccccc2)o1.Cc1noc(-c2ccccc2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(C2CCC2)n1.Cc1noc(C2CCC2)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);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is FFMZPWPHLJCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C10H9NO.3C9H8N2O.2C9H14N2O.C9H8N2O.C9H12.C8H7N3O.C7H11N3O.2C7H10N2O/c1-13-9-7-12(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;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;1-6-10-8(12-11-6)7-3-2-4-9-5-7;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/h2-6,12H,7-10H2,1H3;2*2-7H,1H3;3*2-6H,1H3;2*8H,2-6H2,1H3;2-6H,1H3;3-8H,1-2H3;2-5H,1H3;6,8H,2-4H2,1H3;2*6H,2-4H2,1H3.
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);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
cumene;bis(5-cyclobutyl-3-methyl-1,2,4-oxadiazole);bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 2177.69 g/mol, XLogP of 28.82, 14 rotatable bonds, 1 hydrogen bond donors, and 37 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);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;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158016347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).