4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C22H29NO5 — CID 18473025

IUPAC4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)CC(CCC1(C)OCCO1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C22H29NO5/c1-16(2)13-18(9-10-22(3)27-11-12-28-22)20(24)23-19(15-26-21(23)25)14-17-7-5-4-6-8-17/h4-8,18-19H,1,9-15H2,2-3H3
InChIKeyVYVBJKCXNXLJPX-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.70
Rot. Bonds8

About 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 18473025) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID18473025
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)CC(CCC1(C)OCCO1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C22H29NO5/c1-16(2)13-18(9-10-22(3)27-11-12-28-22)20(24)23-19(15-26-21(23)25)14-17-7-5-4-6-8-17/h4-8,18-19H,1,9-15H2,2-3H3
InChIKeyVYVBJKCXNXLJPX-UHFFFAOYSA-N
XLogP3.70
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 18473025) is 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=C(C)CC(CCC1(C)OCCO1)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is VYVBJKCXNXLJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-16(2)13-18(9-10-22(3)27-11-12-28-22)20(24)23-19(15-26-21(23)25)14-17-7-5-4-6-8-17/h4-8,18-19H,1,9-15H2,2-3H3.
What are the key properties of 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18473025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).