prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate

C28H37NO5 — CID 89300637

About prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate

prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate (PubChem CID 89300637) has the molecular formula C28H37NO5 and a molecular weight of 467.61 g/mol. Its IUPAC name is prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate
• PubChem CID: 89300637
• Molecular Formula: C28H37NO5
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.27
• IUPAC Name: prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate
• SMILES: C=C(C)OC(=O)C1(OCC2CCCC(OCc3nc(-c4ccc(C)cc4)oc3C)C2)CCCC1
• InChI: InChI=1S/C28H37NO5/c1-19(2)33-27(30)28(14-5-6-15-28)32-17-22-8-7-9-24(16-22)31-18-25-21(4)34-26(29-25)23-12-10-20(3)11-13-23/h10-13,22,24H,1,5-9,14-18H2,2-4H3
• InChIKey: YAQGHTYQVFYXRC-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate?

The IUPAC name of prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate (CID 89300637) is prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate.

What is the SMILES notation for prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate?

The canonical SMILES for prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate is C=C(C)OC(=O)C1(OCC2CCCC(OCc3nc(-c4ccc(C)cc4)oc3C)C2)CCCC1.

What is the InChIKey of prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate?

The InChIKey is YAQGHTYQVFYXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO5/c1-19(2)33-27(30)28(14-5-6-15-28)32-17-22-8-7-9-24(16-22)31-18-25-21(4)34-26(29-25)23-12-10-20(3)11-13-23/h10-13,22,24H,1,5-9,14-18H2,2-4H3.

What are the key properties of prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate?

prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate has a molecular weight of 467.61 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-1-en-2-yl 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 89300637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).