5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one

C13H13N3O2 — CID 20706364

IUPAC5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccccc2)C(Cn2ccnc2)O1
InChIInChI=1S/C13H13N3O2/c17-13-15-12(10-4-2-1-3-5-10)11(18-13)8-16-7-6-14-9-16/h1-7,9,11-12H,8H2,(H,15,17)
InChIKeyKNNXQYPSFSDBML-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.73
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one

5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 20706364) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID20706364
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccccc2)C(Cn2ccnc2)O1
InChIInChI=1S/C13H13N3O2/c17-13-15-12(10-4-2-1-3-5-10)11(18-13)8-16-7-6-14-9-16/h1-7,9,11-12H,8H2,(H,15,17)
InChIKeyKNNXQYPSFSDBML-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one (CID 20706364) is 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one is O=C1NC(c2ccccc2)C(Cn2ccnc2)O1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KNNXQYPSFSDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13-15-12(10-4-2-1-3-5-10)11(18-13)8-16-7-6-14-9-16/h1-7,9,11-12H,8H2,(H,15,17).
What are the key properties of 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one?
5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20706364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).