3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C191H252Cl2F3N31O7S7 — CID 159545667

IUPAC3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)C1=NC(c2ccc(Cl)cc2)NN1.CC(C)C1=NC(c2ccccc2)NN1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1
InChIInChI=1S/C12H14N2S.C12H13NS.C11H14ClN3.C11H11ClN2O.C11H10F3N3O.C11H15N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C10H17N.C10H16O.C10H16S.C8H13N.C8H12O.C8H12S.C7H11N.C7H10O.C7H10S.C6H11N3S/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;2*1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;3*1-7(2)9-5-6-10(11-9)8(3)4;3*1-6(2)8-5-4-7(3)9-8;3*1-6(2)7-4-3-5-8-7;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-9H,1-2H3;3-7,11,15H,1-2H3,(H,13,14);3-7H,1-2H3;3-6H,1-2H3;3-8,11,14H,1-2H3,(H,12,13);2*3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-8,11H,1-4H3;2*5-8H,1-4H3;4-6,9H,1-3H3;2*4-6H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,1-3H3,(H,8,10)
InChIKeyMETPLUKTTWRKMB-UHFFFAOYSA-N
MW3446.70 g/mol
LogP57.27
Rot. Bonds33

About 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 159545667) has the molecular formula C191H252Cl2F3N31O7S7 and a molecular weight of 3446.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID159545667
Molecular FormulaC191H252Cl2F3N31O7S7
Molecular Weight3446.70 g/mol
Exact Mass3442.77
IUPAC Name3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)C1=NC(c2ccc(Cl)cc2)NN1.CC(C)C1=NC(c2ccccc2)NN1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1
InChIInChI=1S/C12H14N2S.C12H13NS.C11H14ClN3.C11H11ClN2O.C11H10F3N3O.C11H15N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C10H17N.C10H16O.C10H16S.C8H13N.C8H12O.C8H12S.C7H11N.C7H10O.C7H10S.C6H11N3S/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;2*1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;3*1-7(2)9-5-6-10(11-9)8(3)4;3*1-6(2)8-5-4-7(3)9-8;3*1-6(2)7-4-3-5-8-7;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-9H,1-2H3;3-7,11,15H,1-2H3,(H,13,14);3-7H,1-2H3;3-6H,1-2H3;3-8,11,14H,1-2H3,(H,12,13);2*3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-8,11H,1-4H3;2*5-8H,1-4H3;4-6,9H,1-3H3;2*4-6H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,1-3H3,(H,8,10)
InChIKeyMETPLUKTTWRKMB-UHFFFAOYSA-N
XLogP57.27
TPSA493.61 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms241
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003446.70
LogP ≤ 557.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 159545667) is 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is CC(C)C1=NC(c2ccc(Cl)cc2)NN1.CC(C)C1=NC(c2ccccc2)NN1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.
What is the InChIKey of 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is METPLUKTTWRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C12H13NS.C11H14ClN3.C11H11ClN2O.C11H10F3N3O.C11H15N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C10H17N.C10H16O.C10H16S.C8H13N.C8H12O.C8H12S.C7H11N.C7H10O.C7H10S.C6H11N3S/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;2*1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;3*1-7(2)9-5-6-10(11-9)8(3)4;3*1-6(2)8-5-4-7(3)9-8;3*1-6(2)7-4-3-5-8-7;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-9H,1-2H3;3-7,11,15H,1-2H3,(H,13,14);3-7H,1-2H3;3-6H,1-2H3;3-8,11,14H,1-2H3,(H,12,13);2*3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-8,11H,1-4H3;2*5-8H,1-4H3;4-6,9H,1-3H3;2*4-6H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,1-3H3,(H,8,10).
What are the key properties of 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 3446.70 g/mol, XLogP of 57.27, 33 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159545667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).