bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide

C104H187N21O14 — CID 158559615

About bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide

bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 158559615) has the molecular formula C104H187N21O14 and a molecular weight of 1955.77 g/mol. Its IUPAC name is bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide
• PubChem CID: 158559615
• Molecular Formula: C104H187N21O14
• Molecular Weight: 1955.77 g/mol
• Exact Mass: 1954.46
• IUPAC Name: bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide
• SMILES: CCCCNCC(C)(C)CNC(=O)c1cc(CC)on1.CCCCNCC(C)(C)CNC(=O)c1noc(CC)c1C.CCCCNCC(C)(C)CNC(=O)c1noc(CC)c1C.CCCCNCC(C)(CC)CNC(=O)c1cc(CC)on1.CCc1cc(C(=O)NCC(C)(C)CN(C)C)no1.CCc1cc(C(=O)NCC(C)(CC)CN(C)C)no1.CCc1onc(C(=O)NCC(C)(C)CN(C)C)c1C
• InChI: InChI=1S/3C16H29N3O2.C15H27N3O2.2C14H25N3O2.C13H23N3O2/c2*1-6-8-9-17-10-16(4,5)11-18-15(20)14-12(3)13(7-2)21-19-14;1-5-8-9-17-11-16(4,7-3)12-18-15(20)14-10-13(6-2)21-19-14;1-5-7-8-16-10-15(3,4)11-17-14(19)13-9-12(6-2)20-18-13;1-7-11-10(2)12(16-19-11)13(18)15-8-14(3,4)9-17(5)6;1-6-11-8-12(16-19-11)13(18)15-9-14(3,7-2)10-17(4)5;1-6-10-7-11(15-18-10)12(17)14-8-13(2,3)9-16(4)5/h2*17H,6-11H2,1-5H3,(H,18,20);10,17H,5-9,11-12H2,1-4H3,(H,18,20);9,16H,5-8,10-11H2,1-4H3,(H,17,19);7-9H2,1-6H3,(H,15,18);8H,6-7,9-10H2,1-5H3,(H,15,18);7H,6,8-9H2,1-5H3,(H,14,17)
• InChIKey: HQSITSUWGZYUQO-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 443.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 56
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1955.77
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide?

The IUPAC name of bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 158559615) is bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide is CCCCNCC(C)(C)CNC(=O)c1cc(CC)on1.CCCCNCC(C)(C)CNC(=O)c1noc(CC)c1C.CCCCNCC(C)(C)CNC(=O)c1noc(CC)c1C.CCCCNCC(C)(CC)CNC(=O)c1cc(CC)on1.CCc1cc(C(=O)NCC(C)(C)CN(C)C)no1.CCc1cc(C(=O)NCC(C)(CC)CN(C)C)no1.CCc1onc(C(=O)NCC(C)(C)CN(C)C)c1C.

What is the InChIKey of bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide?

The InChIKey is HQSITSUWGZYUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H29N3O2.C15H27N3O2.2C14H25N3O2.C13H23N3O2/c2*1-6-8-9-17-10-16(4,5)11-18-15(20)14-12(3)13(7-2)21-19-14;1-5-8-9-17-11-16(4,7-3)12-18-15(20)14-10-13(6-2)21-19-14;1-5-7-8-16-10-15(3,4)11-17-14(19)13-9-12(6-2)20-18-13;1-7-11-10(2)12(16-19-11)13(18)15-8-14(3,4)9-17(5)6;1-6-11-8-12(16-19-11)13(18)15-9-14(3,7-2)10-17(4)5;1-6-10-7-11(15-18-10)12(17)14-8-13(2,3)9-16(4)5/h2*17H,6-11H2,1-5H3,(H,18,20);10,17H,5-9,11-12H2,1-4H3,(H,18,20);9,16H,5-8,10-11H2,1-4H3,(H,17,19);7-9H2,1-6H3,(H,15,18);8H,6-7,9-10H2,1-5H3,(H,15,18);7H,6,8-9H2,1-5H3,(H,14,17).

What are the key properties of bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide?

bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 1955.77 g/mol, XLogP of 15.90, 56 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158559615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).