3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione

C14H17NO5 — CID 139594652

IUPAC3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)OC(C)C2=O)cc1OCC
InChIInChI=1S/C14H17NO5/c1-4-18-11-7-6-10(8-12(11)19-5-2)15-13(16)9(3)20-14(15)17/h6-9H,4-5H2,1-3H3
InChIKeyCYUKLOPUJKXNNS-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.36
Rot. Bonds5

About 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione

3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 139594652) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID139594652
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)OC(C)C2=O)cc1OCC
InChIInChI=1S/C14H17NO5/c1-4-18-11-7-6-10(8-12(11)19-5-2)15-13(16)9(3)20-14(15)17/h6-9H,4-5H2,1-3H3
InChIKeyCYUKLOPUJKXNNS-UHFFFAOYSA-N
XLogP2.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione (CID 139594652) is 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione is CCOc1ccc(N2C(=O)OC(C)C2=O)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is CYUKLOPUJKXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-4-18-11-7-6-10(8-12(11)19-5-2)15-13(16)9(3)20-14(15)17/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione?
3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 279.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139594652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).