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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide

C142H213N25O14 — CID 164956718

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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC1=CC(=O)N(C(C)C)C1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)on1.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H16N2O.2C13H16N2.2C12H15N3.C11H22N2O3.C11H15NO.C10H20N2O3.C8H14N2O.C8H14N2.C8H13NO2.2C8H13NO.C7H11NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;2*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;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;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;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(2,3)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;1-6-5-7(10-9-6)8(2,3)4;1-6(2)9-5-7(3)4-8(9)10;1-5(2)7-4-6(3)8-9-7/h4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;4,6H,5H2,1-3H3;4-5H,1-3H3
InChIKeyBGUKAHVEDTVLOT-UHFFFAOYSA-N
MW2494.43 g/mol
LogP30.80
Rot. Bonds19

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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide

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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide (PubChem CID 164956718) has the molecular formula C142H213N25O14 and a molecular weight of 2494.43 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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide.

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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide
PubChem CID164956718
Molecular FormulaC142H213N25O14
Molecular Weight2494.43 g/mol
Exact Mass2492.67
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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC1=CC(=O)N(C(C)C)C1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)on1.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H16N2O.2C13H16N2.2C12H15N3.C11H22N2O3.C11H15NO.C10H20N2O3.C8H14N2O.C8H14N2.C8H13NO2.2C8H13NO.C7H11NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;2*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;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;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;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(2,3)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;1-6-5-7(10-9-6)8(2,3)4;1-6(2)9-5-7(3)4-8(9)10;1-5(2)7-4-6(3)8-9-7/h4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;4,6H,5H2,1-3H3;4-5H,1-3H3
InChIKeyBGUKAHVEDTVLOT-UHFFFAOYSA-N
XLogP30.80
TPSA440.57 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002494.43
LogP ≤ 530.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide with MolForge

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Related Compounds

5-tert-butyl-3-methoxy-1,2-oxazole;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;tris(1-tert-butyl-4-phenylpyrazole);3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide
CID 157374818
CID 157536174
CID 157536174
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;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine
CID 157940577
5-tert-butyl-3-methoxy-1,2-oxazole;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;bis(1-tert-butyl-4-phenylpyrazole);3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
CID 158225203
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-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one
CID 158276272
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;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine
CID 158411179
1-Tert-butyl-4-phenoxypyrazole;2-(1-tert-butylpyrazol-4-yl)pyridine;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole
CID 159240110
tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;3-methoxy-5-propan-2-yl-1,2-oxazole;4-methoxy-1-propan-2-ylpyrazole;bis(3-methyl-5-propan-2-yl-1,2-oxazole);4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;4-phenoxy-1-propan-2-ylpyrazole;2-phenyl-N-propan-2-ylacetamide;bis(4-phenyl-1-propan-2-ylpyrazole);2-(1-propan-2-ylpyrazol-4-yl)pyridine;3-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 159258783
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;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide
CID 159324736
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;1-tert-butyl-4-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-2H-pyrrole
CID 159407541
5-tert-butyl-3-methoxy-1,2-oxazole;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;bis(1-tert-butyl-4-phenylpyrazole);3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(4-methoxyphenyl)-N-propan-2-ylpropanamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
CID 159881081
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-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenoxypyrazole;tris(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole
CID 160285845

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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide?
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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide (CID 164956718) 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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide.
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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide?
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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide is CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccn2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)(C)n1cc(Oc2ccccc2)cn1.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC1=CC(=O)N(C(C)C)C1.COc1cc(C(C)(C)C)on1.COc1cnn(C(C)(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)on1.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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide?
The InChIKey is BGUKAHVEDTVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.2C13H16N2.2C12H15N3.C11H22N2O3.C11H15NO.C10H20N2O3.C8H14N2O.C8H14N2.C8H13NO2.2C8H13NO.C7H11NO/c1-13(2,3)15-10-12(9-14-15)16-11-7-5-4-6-8-11;2*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;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;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;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(2,3)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;1-6-5-7(10-9-6)8(2,3)4;1-6(2)9-5-7(3)4-8(9)10;1-5(2)7-4-6(3)8-9-7/h4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5H,1-4H3;4,6H,5H2,1-3H3;4-5H,1-3H3.
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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide?
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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide has a molecular weight of 2494.43 g/mol, XLogP of 30.80, 19 rotatable bonds, 5 hydrogen bond donors, and 33 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-phenoxypyrazole;bis(1-tert-butyl-4-phenylpyrazole);2-(1-tert-butylpyrazol-4-yl)pyridine;3-(1-tert-butylpyrazol-4-yl)pyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 164956718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).