3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid

C19H21N3O4 — CID 163307039

IUPAC3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(N2CCN(C3CCCC3)C(=O)C2)noc1-c1ccccc1
InChIInChI=1S/C19H21N3O4/c23-15-12-21(10-11-22(15)14-8-4-5-9-14)18-16(19(24)25)17(26-20-18)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,25)
InChIKeyNWAKJFUQNHGWBN-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.63
Rot. Bonds4

About 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid

3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 163307039) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID163307039
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(N2CCN(C3CCCC3)C(=O)C2)noc1-c1ccccc1
InChIInChI=1S/C19H21N3O4/c23-15-12-21(10-11-22(15)14-8-4-5-9-14)18-16(19(24)25)17(26-20-18)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,25)
InChIKeyNWAKJFUQNHGWBN-UHFFFAOYSA-N
XLogP2.63
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid (CID 163307039) is 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(N2CCN(C3CCCC3)C(=O)C2)noc1-c1ccccc1.
What is the InChIKey of 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is NWAKJFUQNHGWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-15-12-21(10-11-22(15)14-8-4-5-9-14)18-16(19(24)25)17(26-20-18)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,25).
What are the key properties of 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid?
3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163307039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).