5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide

C249H428N34O25 — CID 160553886

IUPAC5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(-c2ccncc2)cn1.CC(C)CC(=O)NC(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccc(C#N)cc1.CC(C)NC(=O)c1ccccc1.COC1=CC(=O)N(C(C)C)C1.COc1cc(C(C)(C)C)on1.COc1ccc(CCC(=O)NC(C)C)cc1.COc1cccc(CCC(=O)NC(C)C)c1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)on1.Cc1ccccc1CCC(=O)NC(C)C.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H16N2.2C13H19NO2.C13H19NO.3C12H15N3.C12H23NO.C12H17NO.C11H22N2O3.C11H12N2O.C11H21NO.C11H15NO.C10H20N2O3.C10H13NO.C8H14N2O.C8H14N2.2C8H13NO2.C8H13NO.C8H17NO.C7H11NO.18CH4/c1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)9-6-11-4-7-12(16-3)8-5-11;1-10(2)14-13(15)8-7-11-5-4-6-12(9-11)16-3;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-12(2,3)15-9-11(8-14-15)10-4-6-13-7-5-10;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)13-11(14)10-5-3-9(7-12)4-6-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6(2)9-5-7(11-3)4-8(9)10;1-6-5-7(10-9-6)8(2,3)4;1-6(2)5-8(10)9-7(3)4;1-5(2)7-4-6(3)8-9-7;;;;;;;;;;;;;;;;;;/h4-10H,1-3H3;4-5,7-8,10H,6,9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);3*4-9H,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,1-2H3,(H,13,14);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);3-8H,1-2H3,(H,11,12);5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;6-7H,5H2,1-4H3,(H,9,10);4-5H,1-3H3;18*1H4
InChIKeyQYKRZXHQKYQCOM-UHFFFAOYSA-N
MW4298.38 g/mol
LogP57.13
Rot. Bonds50

About 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide

5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide (PubChem CID 160553886) has the molecular formula C249H428N34O25 and a molecular weight of 4298.38 g/mol. Its IUPAC name is 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
PubChem CID160553886
Molecular FormulaC249H428N34O25
Molecular Weight4298.38 g/mol
Exact Mass4295.33
IUPAC Name5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(-c2ccncc2)cn1.CC(C)CC(=O)NC(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccc(C#N)cc1.CC(C)NC(=O)c1ccccc1.COC1=CC(=O)N(C(C)C)C1.COc1cc(C(C)(C)C)on1.COc1ccc(CCC(=O)NC(C)C)cc1.COc1cccc(CCC(=O)NC(C)C)c1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)on1.Cc1ccccc1CCC(=O)NC(C)C.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H16N2.2C13H19NO2.C13H19NO.3C12H15N3.C12H23NO.C12H17NO.C11H22N2O3.C11H12N2O.C11H21NO.C11H15NO.C10H20N2O3.C10H13NO.C8H14N2O.C8H14N2.2C8H13NO2.C8H13NO.C8H17NO.C7H11NO.18CH4/c1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)9-6-11-4-7-12(16-3)8-5-11;1-10(2)14-13(15)8-7-11-5-4-6-12(9-11)16-3;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-12(2,3)15-9-11(8-14-15)10-4-6-13-7-5-10;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)13-11(14)10-5-3-9(7-12)4-6-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6(2)9-5-7(11-3)4-8(9)10;1-6-5-7(10-9-6)8(2,3)4;1-6(2)5-8(10)9-7(3)4;1-5(2)7-4-6(3)8-9-7;;;;;;;;;;;;;;;;;;/h4-10H,1-3H3;4-5,7-8,10H,6,9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);3*4-9H,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,1-2H3,(H,13,14);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);3-8H,1-2H3,(H,11,12);5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;6-7H,5H2,1-4H3,(H,9,10);4-5H,1-3H3;18*1H4
InChIKeyQYKRZXHQKYQCOM-UHFFFAOYSA-N
XLogP57.13
TPSA739.79 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004298.38
LogP ≤ 557.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Analyze 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?
The IUPAC name of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide (CID 160553886) is 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide.
What is the SMILES notation for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?
The canonical SMILES for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(-c2ccncc2)cn1.CC(C)CC(=O)NC(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccc(C#N)cc1.CC(C)NC(=O)c1ccccc1.COC1=CC(=O)N(C(C)C)C1.COc1cc(C(C)(C)C)on1.COc1ccc(CCC(=O)NC(C)C)cc1.COc1cccc(CCC(=O)NC(C)C)c1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)on1.Cc1ccccc1CCC(=O)NC(C)C.Cc1cnn(C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?
The InChIKey is QYKRZXHQKYQCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.2C13H19NO2.C13H19NO.3C12H15N3.C12H23NO.C12H17NO.C11H22N2O3.C11H12N2O.C11H21NO.C11H15NO.C10H20N2O3.C10H13NO.C8H14N2O.C8H14N2.2C8H13NO2.C8H13NO.C8H17NO.C7H11NO.18CH4/c1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)9-6-11-4-7-12(16-3)8-5-11;1-10(2)14-13(15)8-7-11-5-4-6-12(9-11)16-3;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-12(2,3)15-9-11(8-14-15)10-4-6-13-7-5-10;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;1-12(2,3)15-9-10(8-14-15)11-6-4-5-7-13-11;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)13-11(14)10-5-3-9(7-12)4-6-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2,3)10-6-7(11-4)5-9-10;1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)6-5-7(10-4)9-11-6;1-6(2)9-5-7(11-3)4-8(9)10;1-6-5-7(10-9-6)8(2,3)4;1-6(2)5-8(10)9-7(3)4;1-5(2)7-4-6(3)8-9-7;;;;;;;;;;;;;;;;;;/h4-10H,1-3H3;4-5,7-8,10H,6,9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);3*4-9H,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,1-2H3,(H,13,14);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);3-8H,1-2H3,(H,11,12);5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;6-7H,5H2,1-4H3,(H,9,10);4-5H,1-3H3;18*1H4.
What are the key properties of 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?
5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide has a molecular weight of 4298.38 g/mol, XLogP of 57.13, 50 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methoxy-1,2-oxazole;1-tert-butyl-4-methoxypyrazole;5-tert-butyl-3-methyl-1,2-oxazole;1-tert-butyl-4-methylpyrazole;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;4-(1-tert-butylpyrazol-4-yl)pyridine;4-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(3-methoxyphenyl)-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide is sourced from PubChem (CID 160553886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).