N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H17N3O4 — CID 55814453

IUPACN-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N3O4/c24-19(17-12-18(27-22-17)15-6-2-1-3-7-15)21-13-14-5-4-8-16(11-14)23-9-10-26-20(23)25/h1-8,11-12H,9-10,13H2,(H,21,24)
InChIKeyFZESQOQHERLKMP-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.23
Rot. Bonds5

About N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 55814453) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID55814453
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N3O4/c24-19(17-12-18(27-22-17)15-6-2-1-3-7-15)21-13-14-5-4-8-16(11-14)23-9-10-26-20(23)25/h1-8,11-12H,9-10,13H2,(H,21,24)
InChIKeyFZESQOQHERLKMP-UHFFFAOYSA-N
XLogP3.23
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 55814453) is N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCc1cccc(N2CCOC2=O)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FZESQOQHERLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19(17-12-18(27-22-17)15-6-2-1-3-7-15)21-13-14-5-4-8-16(11-14)23-9-10-26-20(23)25/h1-8,11-12H,9-10,13H2,(H,21,24).
What are the key properties of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55814453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).