1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione

C17H21N3O5Si — CID 174059991

IUPAC1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCOCn1c(=O)oc2ccc(-n3ccc(=O)[nH]c3=O)cc21
InChIInChI=1S/C17H21N3O5Si/c1-26(2,3)9-8-24-11-20-13-10-12(4-5-14(13)25-17(20)23)19-7-6-15(21)18-16(19)22/h4-7,10H,8-9,11H2,1-3H3,(H,18,21,22)
InChIKeyDMXHYLQBMPILEF-UHFFFAOYSA-N
MW375.46 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione

1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione (PubChem CID 174059991) has the molecular formula C17H21N3O5Si and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione
PubChem CID174059991
Molecular FormulaC17H21N3O5Si
Molecular Weight375.46 g/mol
Exact Mass375.13
IUPAC Name1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCOCn1c(=O)oc2ccc(-n3ccc(=O)[nH]c3=O)cc21
InChIInChI=1S/C17H21N3O5Si/c1-26(2,3)9-8-24-11-20-13-10-12(4-5-14(13)25-17(20)23)19-7-6-15(21)18-16(19)22/h4-7,10H,8-9,11H2,1-3H3,(H,18,21,22)
InChIKeyDMXHYLQBMPILEF-UHFFFAOYSA-N
XLogP1.75
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione (CID 174059991) is 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione is C[Si](C)(C)CCOCn1c(=O)oc2ccc(-n3ccc(=O)[nH]c3=O)cc21.
What is the InChIKey of 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione?
The InChIKey is DMXHYLQBMPILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5Si/c1-26(2,3)9-8-24-11-20-13-10-12(4-5-14(13)25-17(20)23)19-7-6-15(21)18-16(19)22/h4-7,10H,8-9,11H2,1-3H3,(H,18,21,22).
What are the key properties of 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione?
1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione has a molecular weight of 375.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 174059991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).