methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate

C18H30N2O5 — CID 138970121

About methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate (PubChem CID 138970121) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate
• PubChem CID: 138970121
• Molecular Formula: C18H30N2O5
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.22
• IUPAC Name: methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1nc(CC[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)oc1C
• InChI: InChI=1S/C18H30N2O5/c1-11(2)13(20(7)17(22)25-18(4,5)6)9-10-14-19-15(12(3)24-14)16(21)23-8/h11,13H,9-10H2,1-8H3/t13-/m1/s1
• InChIKey: ORLHFQISOLBZDX-CYBMUJFWSA-N
• XLogP: 3.59
• TPSA: 81.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate?

The IUPAC name of methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate (CID 138970121) is methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate.

What is the SMILES notation for methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate?

The canonical SMILES for methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate is COC(=O)c1nc(CC[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)oc1C.

What is the InChIKey of methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate?

The InChIKey is ORLHFQISOLBZDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-11(2)13(20(7)17(22)25-18(4,5)6)9-10-14-19-15(12(3)24-14)16(21)23-8/h11,13H,9-10H2,1-8H3/t13-/m1/s1.

What are the key properties of methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate?

methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 138970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).