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);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

C144H221N21O15 — CID 161321363

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;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
SMILESCC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)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.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/3C13H16N2.2C13H19NO.C11H22N2O3.C11H15NO.C10H20N2O3.C8H14N2O.C8H14N2.C8H13NO2.2C8H13NO.C7H11NO/c3*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;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/h3*4-10H,1-3H3;4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);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
InChIKeyVKEMZLNRCRZSLW-UHFFFAOYSA-N
MW2486.48 g/mol
LogP30.18
Rot. Bonds24

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;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

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);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 (PubChem CID 161321363) has the molecular formula C144H221N21O15 and a molecular weight of 2486.48 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;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.

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;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
PubChem CID161321363
Molecular FormulaC144H221N21O15
Molecular Weight2486.48 g/mol
Exact Mass2484.72
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;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
SMILESCC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)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.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/3C13H16N2.2C13H19NO.C11H22N2O3.C11H15NO.C10H20N2O3.C8H14N2O.C8H14N2.C8H13NO2.2C8H13NO.C7H11NO/c3*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;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/h3*4-10H,1-3H3;4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);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
InChIKeyVKEMZLNRCRZSLW-UHFFFAOYSA-N
XLogP30.18
TPSA428.12 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002486.48
LogP ≤ 530.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

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;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 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;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?
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;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 161321363) 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;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.
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;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?
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;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 is CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2ccccc2)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.Cc1cccc(CCC(=O)NC(C)C)c1.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;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?
The InChIKey is VKEMZLNRCRZSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16N2.2C13H19NO.C11H22N2O3.C11H15NO.C10H20N2O3.C8H14N2O.C8H14N2.C8H13NO2.2C8H13NO.C7H11NO/c3*1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;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/h3*4-10H,1-3H3;4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);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;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?
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);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 has a molecular weight of 2486.48 g/mol, XLogP of 30.18, 24 rotatable bonds, 7 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 161321363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).