N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide

C29H50N4O4 — CID 160653600

About N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide

N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 160653600) has the molecular formula C29H50N4O4 and a molecular weight of 518.74 g/mol. Its IUPAC name is N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
• PubChem CID: 160653600
• Molecular Formula: C29H50N4O4
• Molecular Weight: 518.74 g/mol
• Exact Mass: 518.38
• IUPAC Name: N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
• SMILES: CCCC(C)(C)C(C)NC(=O)c1cc(CC)on1.CCCC(C)(C)C(C)NC(=O)c1noc(CC)c1C
• InChI: InChI=1S/C15H26N2O2.C14H24N2O2/c1-7-9-15(5,6)11(4)16-14(18)13-10(3)12(8-2)19-17-13;1-6-8-14(4,5)10(3)15-13(17)12-9-11(7-2)18-16-12/h11H,7-9H2,1-6H3,(H,16,18);9-10H,6-8H2,1-5H3,(H,15,17)
• InChIKey: RKTAIJPAYDCPQR-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.74
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 160653600) is N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide is CCCC(C)(C)C(C)NC(=O)c1cc(CC)on1.CCCC(C)(C)C(C)NC(=O)c1noc(CC)c1C.

What is the InChIKey of N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?

The InChIKey is RKTAIJPAYDCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.C14H24N2O2/c1-7-9-15(5,6)11(4)16-14(18)13-10(3)12(8-2)19-17-13;1-6-8-14(4,5)10(3)15-13(17)12-9-11(7-2)18-16-12/h11H,7-9H2,1-6H3,(H,16,18);9-10H,6-8H2,1-5H3,(H,15,17).

What are the key properties of N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?

N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 518.74 g/mol, XLogP of 6.67, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160653600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).