3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone

C194H282F3N19O16 — CID 162139927

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone
SMILESC=C(C)c1ccc(C(C)C)cc1.C=C1C=C(C(C)C)C=CN1.CC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C1=CCC2(CC1)OCCO2.CC(C)C1=CCN(C(=O)CO)C1.CC(C)C1=CCN(C2COC2)C1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(=O)C(F)(F)F)cc1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1cccc(Cn2ccnc2)c1.CC(C)c1ccnn1C.COC(=O)c1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C15H22N2O.C15H21NO.C14H19NO.C13H16N2.C12H14N2.C12H16.C11H11F3O.C11H18O2.C11H14O2.C10H14N2O.C10H17NO.C10H14O.C9H18N2O.C9H15NO2.C9H13N.C8H13NO.C8H15NO.C7H12N2/c1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-11(2)13-5-3-4-12(8-13)9-15-7-6-14-10-15;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14;1-9(2)10-3-5-11(6-4-10)12-7-8-13-11;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-11(5-9)10-6-12-7-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8-3-4-10(5-8)9(12)6-11;1-7(2)9-4-5-10-8(3)6-9;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8(10)9-5-3-4-6-9;1-6(2)7-4-5-8-9(7)3/h4-7,12H,8-11H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;5-8,10H,1H2,2-4H3;3-7H,1-2H3;3,9H,4-8H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3,(H,11,12,13);3,8,10H,4-7H2,1-2H3;4-8H,1-3H3;8H,4-7H2,1-3H3;3,7,11H,4-6H2,1-2H3;4-7,10H,3H2,1-2H3;5H,1-4H3;7H,3-6H2,1-2H3;4-6H,1-3H3
InChIKeyZJUGLJCHFUAGJR-UHFFFAOYSA-N
MW3193.50 g/mol
LogP41.73
Rot. Bonds31

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 162139927) has the molecular formula C194H282F3N19O16 and a molecular weight of 3193.50 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone
PubChem CID162139927
Molecular FormulaC194H282F3N19O16
Molecular Weight3193.50 g/mol
Exact Mass3191.18
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone
SMILESC=C(C)c1ccc(C(C)C)cc1.C=C1C=C(C(C)C)C=CN1.CC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C1=CCC2(CC1)OCCO2.CC(C)C1=CCN(C(=O)CO)C1.CC(C)C1=CCN(C2COC2)C1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(=O)C(F)(F)F)cc1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1cccc(Cn2ccnc2)c1.CC(C)c1ccnn1C.COC(=O)c1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C15H22N2O.C15H21NO.C14H19NO.C13H16N2.C12H14N2.C12H16.C11H11F3O.C11H18O2.C11H14O2.C10H14N2O.C10H17NO.C10H14O.C9H18N2O.C9H15NO2.C9H13N.C8H13NO.C8H15NO.C7H12N2/c1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-11(2)13-5-3-4-12(8-13)9-15-7-6-14-10-15;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14;1-9(2)10-3-5-11(6-4-10)12-7-8-13-11;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-11(5-9)10-6-12-7-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8-3-4-10(5-8)9(12)6-11;1-7(2)9-4-5-10-8(3)6-9;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8(10)9-5-3-4-6-9;1-6(2)7-4-5-8-9(7)3/h4-7,12H,8-11H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;5-8,10H,1H2,2-4H3;3-7H,1-2H3;3,9H,4-8H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3,(H,11,12,13);3,8,10H,4-7H2,1-2H3;4-8H,1-3H3;8H,4-7H2,1-3H3;3,7,11H,4-6H2,1-2H3;4-7,10H,3H2,1-2H3;5H,1-4H3;7H,3-6H2,1-2H3;4-6H,1-3H3
InChIKeyZJUGLJCHFUAGJR-UHFFFAOYSA-N
XLogP41.73
TPSA365.61 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003193.50
LogP ≤ 541.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone (CID 162139927) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone is C=C(C)c1ccc(C(C)C)cc1.C=C1C=C(C(C)C)C=CN1.CC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C1=CCC2(CC1)OCCO2.CC(C)C1=CCN(C(=O)CO)C1.CC(C)C1=CCN(C2COC2)C1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(=O)C(F)(F)F)cc1.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1cccc(Cn2ccnc2)c1.CC(C)c1ccnn1C.COC(=O)c1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is ZJUGLJCHFUAGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C15H21NO.C14H19NO.C13H16N2.C12H14N2.C12H16.C11H11F3O.C11H18O2.C11H14O2.C10H14N2O.C10H17NO.C10H14O.C9H18N2O.C9H15NO2.C9H13N.C8H13NO.C8H15NO.C7H12N2/c1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-11(2)13-5-3-4-12(8-13)9-15-7-6-14-10-15;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14;1-9(2)10-3-5-11(6-4-10)12-7-8-13-11;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-11(5-9)10-6-12-7-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8-3-4-10(5-8)9(12)6-11;1-7(2)9-4-5-10-8(3)6-9;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8(10)9-5-3-4-6-9;1-6(2)7-4-5-8-9(7)3/h4-7,12H,8-11H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;5-8,11H,3-4,9-10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;5-8,10H,1H2,2-4H3;3-7H,1-2H3;3,9H,4-8H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3,(H,11,12,13);3,8,10H,4-7H2,1-2H3;4-8H,1-3H3;8H,4-7H2,1-3H3;3,7,11H,4-6H2,1-2H3;4-7,10H,3H2,1-2H3;5H,1-4H3;7H,3-6H2,1-2H3;4-6H,1-3H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 3193.50 g/mol, XLogP of 41.73, 31 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-hydroxy-1-(3-propan-2-yl-2,5-dihydropyrrol-1-yl)ethanone;1-methoxy-4-propan-2-ylbenzene;2-methylidene-4-propan-2-yl-1H-pyridine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;methyl 4-propan-2-ylbenzoate;1-methyl-5-propan-2-ylpyrazole;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;8-propan-2-yl-1,4-dioxaspiro[4.5]dec-7-ene;1-[(3-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)pyrazole;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;1-propan-2-yl-4-prop-1-en-2-ylbenzene;N-(5-propan-2-yl-2-pyridinyl)acetamide;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 162139927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).