Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
C203H305F12N25O18 — CID 163963054
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACcumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1cc(C(C)F)on1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1cn(C)cn1.CC(C)c1cnc(C(C)F)o1.CC(C)c1coc(C(C)F)n1.CC(C)c1cocn1.CC(C)c1ncoc1C(F)(F)F.CC(C)c1ncoc1C(F)F.CC(C)c1occc1C(F)(F)F.CC(C)c1ocnc1C(C)F.CC1=C(C(C)C)C=NC1.CC1=NCC(C)=C1C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)o1.Cc1ocnc1C(C)C
InChIInChI=1S/C9H15N.2C9H12.C8H9F3O.4C8H12FNO.C8H14N2.C8H13N.C8H11N.2C8H12O.C7H8F3NO.C7H9F2NO.3C7H12N2.6C7H11NO.C7H10O.2C6H9NO/c1-6(2)9-7(3)5-10-8(9)4;2*1-8(2)9-6-4-3-5-7-9;1-5(2)7-6(3-4-12-7)8(9,10)11;1-5(2)8-7(6(3)9)10-4-11-8;1-5(2)7-4-11-8(10-7)6(3)9;1-5(2)7-4-10-8(11-7)6(3)9;1-5(2)7-4-8(6(3)9)11-10-7;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-4(2)5-6(7(8)9)11-3-10-5;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)9-4-8-7;2*1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-6(3)9-8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h6H,5H2,1-4H3;2*3-8H,1-2H3;3-5H,1-2H3;4*4-6H,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;3-7H,1-2H3;2*4-6H,1-3H3;3-4H,1-2H3;3-4,7H,1-2H3;3*4-6H,1-3H3;6*4-5H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeySJEREWWTMQZPNQ-UHFFFAOYSA-N
MW3611.81 g/mol
LogP63.13
Rot. Bonds32
About Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 163963054) has the molecular formula C203H305F12N25O18 and a molecular weight of 3611.81 g/mol. Its IUPAC name is cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.
Molecular Properties
| Compound Name | Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole |
|---|---|
| PubChem CID | 163963054 |
| Molecular Formula | C203H305F12N25O18 |
| Molecular Weight | 3611.81 g/mol |
| Exact Mass | 3609.35 |
| IUPAC Name | cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole |
| SMILES | CC(C)c1cc(C(C)F)on1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1cn(C)cn1.CC(C)c1cnc(C(C)F)o1.CC(C)c1coc(C(C)F)n1.CC(C)c1cocn1.CC(C)c1ncoc1C(F)(F)F.CC(C)c1ncoc1C(F)F.CC(C)c1occc1C(F)(F)F.CC(C)c1ocnc1C(C)F.CC1=C(C(C)C)C=NC1.CC1=NCC(C)=C1C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)o1.Cc1ocnc1C(C)C |
| InChI | InChI=1S/C9H15N.2C9H12.C8H9F3O.4C8H12FNO.C8H14N2.C8H13N.C8H11N.2C8H12O.C7H8F3NO.C7H9F2NO.3C7H12N2.6C7H11NO.C7H10O.2C6H9NO/c1-6(2)9-7(3)5-10-8(9)4;2*1-8(2)9-6-4-3-5-7-9;1-5(2)7-6(3-4-12-7)8(9,10)11;1-5(2)8-7(6(3)9)10-4-11-8;1-5(2)7-4-11-8(10-7)6(3)9;1-5(2)7-4-10-8(11-7)6(3)9;1-5(2)7-4-8(6(3)9)11-10-7;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-4(2)5-6(7(8)9)11-3-10-5;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)9-4-8-7;2*1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-6(3)9-8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h6H,5H2,1-4H3;2*3-8H,1-2H3;3-5H,1-2H3;4*4-6H,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;3-7H,1-2H3;2*4-6H,1-3H3;3-4H,1-2H3;3-4,7H,1-2H3;3*4-6H,1-3H3;6*4-5H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3 |
| InChIKey | SJEREWWTMQZPNQ-UHFFFAOYSA-N |
| XLogP | 63.13 |
| TPSA | 525.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 258 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3611.81 |
| LogP ≤ 5 | 63.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
Frequently Asked Questions
What is the IUPAC name of Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole (CID 163963054) is cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is CC(C)c1cc(C(C)F)on1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1cn(C)cn1.CC(C)c1cnc(C(C)F)o1.CC(C)c1coc(C(C)F)n1.CC(C)c1cocn1.CC(C)c1ncoc1C(F)(F)F.CC(C)c1ncoc1C(F)F.CC(C)c1occc1C(F)(F)F.CC(C)c1ocnc1C(C)F.CC1=C(C(C)C)C=NC1.CC1=NCC(C)=C1C(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)o1.Cc1ocnc1C(C)C.
What is the InChIKey of Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SJEREWWTMQZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.2C9H12.C8H9F3O.4C8H12FNO.C8H14N2.C8H13N.C8H11N.2C8H12O.C7H8F3NO.C7H9F2NO.3C7H12N2.6C7H11NO.C7H10O.2C6H9NO/c1-6(2)9-7(3)5-10-8(9)4;2*1-8(2)9-6-4-3-5-7-9;1-5(2)7-6(3-4-12-7)8(9,10)11;1-5(2)8-7(6(3)9)10-4-11-8;1-5(2)7-4-11-8(10-7)6(3)9;1-5(2)7-4-10-8(11-7)6(3)9;1-5(2)7-4-8(6(3)9)11-10-7;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-4(2)5-6(7(8)9)11-3-10-5;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)9-4-8-7;2*1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-6(3)9-8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h6H,5H2,1-4H3;2*3-8H,1-2H3;3-5H,1-2H3;4*4-6H,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;3-7H,1-2H3;2*4-6H,1-3H3;3-4H,1-2H3;3-4,7H,1-2H3;3*4-6H,1-3H3;6*4-5H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole?
Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 3611.81 g/mol, XLogP of 63.13, 32 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for Cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 163963054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 163963054 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.