3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one

C9H16N2O3 — CID 123265338

IUPAC3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one
SMILESC/N=C(\C)N1C(=O)OCC1C(C)OC
InChIInChI=1S/C9H16N2O3/c1-6(13-4)8-5-14-9(12)11(8)7(2)10-3/h6,8H,5H2,1-4H3/b10-7+
InChIKeyMDFGQBXMWRFVQE-JXMROGBWSA-N
MW200.24 g/mol
LogP0.89
Rot. Bonds2

About 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one

3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one (PubChem CID 123265338) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one
PubChem CID123265338
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one
SMILESC/N=C(\C)N1C(=O)OCC1C(C)OC
InChIInChI=1S/C9H16N2O3/c1-6(13-4)8-5-14-9(12)11(8)7(2)10-3/h6,8H,5H2,1-4H3/b10-7+
InChIKeyMDFGQBXMWRFVQE-JXMROGBWSA-N
XLogP0.89
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one (CID 123265338) is 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one is C/N=C(\C)N1C(=O)OCC1C(C)OC.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is MDFGQBXMWRFVQE-JXMROGBWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(13-4)8-5-14-9(12)11(8)7(2)10-3/h6,8H,5H2,1-4H3/b10-7+.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one?
3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123265338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).