1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid

C16H17N3O4 — CID 19439069

IUPAC1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CC(CN3CCCC3C(=O)O)OC2=O)cc1
InChIInChI=1S/C16H17N3O4/c17-8-11-3-5-12(6-4-11)19-10-13(23-16(19)22)9-18-7-1-2-14(18)15(20)21/h3-6,13-14H,1-2,7,9-10H2,(H,20,21)
InChIKeySBQILKLYZYVYLR-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.43
Rot. Bonds4

About 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid

1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 19439069) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID19439069
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CC(CN3CCCC3C(=O)O)OC2=O)cc1
InChIInChI=1S/C16H17N3O4/c17-8-11-3-5-12(6-4-11)19-10-13(23-16(19)22)9-18-7-1-2-14(18)15(20)21/h3-6,13-14H,1-2,7,9-10H2,(H,20,21)
InChIKeySBQILKLYZYVYLR-UHFFFAOYSA-N
XLogP1.43
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid (CID 19439069) is 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid is N#Cc1ccc(N2CC(CN3CCCC3C(=O)O)OC2=O)cc1.
What is the InChIKey of 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SBQILKLYZYVYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c17-8-11-3-5-12(6-4-11)19-10-13(23-16(19)22)9-18-7-1-2-14(18)15(20)21/h3-6,13-14H,1-2,7,9-10H2,(H,20,21).
What are the key properties of 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19439069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).