5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide

C22H25N3O4 — CID 42841017

IUPAC5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)C1C(c2cccc(NC(C)=O)c2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H25N3O4/c1-3-12-23-21(27)19-20(17-10-7-11-18(13-17)24-15(2)26)29-22(28)25(19)14-16-8-5-4-6-9-16/h4-11,13,19-20H,3,12,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyFRRAHQCXQYJSGB-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.23
Rot. Bonds7

About 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide

5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (PubChem CID 42841017) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
PubChem CID42841017
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)C1C(c2cccc(NC(C)=O)c2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H25N3O4/c1-3-12-23-21(27)19-20(17-10-7-11-18(13-17)24-15(2)26)29-22(28)25(19)14-16-8-5-4-6-9-16/h4-11,13,19-20H,3,12,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyFRRAHQCXQYJSGB-UHFFFAOYSA-N
XLogP3.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (CID 42841017) is 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is CCCNC(=O)C1C(c2cccc(NC(C)=O)c2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is FRRAHQCXQYJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-12-23-21(27)19-20(17-10-7-11-18(13-17)24-15(2)26)29-22(28)25(19)14-16-8-5-4-6-9-16/h4-11,13,19-20H,3,12,14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).