(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate

C19H17N3O4 — CID 167986685

IUPAC(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate
SMILESO=C1NCC(COC(=O)C(c2ccccc2)n2cnc3ccccc32)O1
InChIInChI=1S/C19H17N3O4/c23-18(25-11-14-10-20-19(24)26-14)17(13-6-2-1-3-7-13)22-12-21-15-8-4-5-9-16(15)22/h1-9,12,14,17H,10-11H2,(H,20,24)
InChIKeyROFOOJUBSVHMDC-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.28
Rot. Bonds5

About (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate

(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate (PubChem CID 167986685) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate.

Molecular Properties

Compound Name(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate
PubChem CID167986685
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate
SMILESO=C1NCC(COC(=O)C(c2ccccc2)n2cnc3ccccc32)O1
InChIInChI=1S/C19H17N3O4/c23-18(25-11-14-10-20-19(24)26-14)17(13-6-2-1-3-7-13)22-12-21-15-8-4-5-9-16(15)22/h1-9,12,14,17H,10-11H2,(H,20,24)
InChIKeyROFOOJUBSVHMDC-UHFFFAOYSA-N
XLogP2.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate?
The IUPAC name of (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate (CID 167986685) is (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate.
What is the SMILES notation for (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate?
The canonical SMILES for (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate is O=C1NCC(COC(=O)C(c2ccccc2)n2cnc3ccccc32)O1.
What is the InChIKey of (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate?
The InChIKey is ROFOOJUBSVHMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18(25-11-14-10-20-19(24)26-14)17(13-6-2-1-3-7-13)22-12-21-15-8-4-5-9-16(15)22/h1-9,12,14,17H,10-11H2,(H,20,24).
What are the key properties of (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate?
(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate has a molecular weight of 351.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate is sourced from PubChem (CID 167986685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).