3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one

C19H20ClN3O4 — CID 102561958

IUPAC3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2coc(C3CCOCC3)n2)C1c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O4/c20-14-4-2-1-3-13(14)16-17(24)21-7-8-23(16)19(25)15-11-27-18(22-15)12-5-9-26-10-6-12/h1-4,11-12,16H,5-10H2,(H,21,24)
InChIKeyAGFJUIDYNHNAGA-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.54
Rot. Bonds3

About 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one

3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one (PubChem CID 102561958) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
PubChem CID102561958
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2coc(C3CCOCC3)n2)C1c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O4/c20-14-4-2-1-3-13(14)16-17(24)21-7-8-23(16)19(25)15-11-27-18(22-15)12-5-9-26-10-6-12/h1-4,11-12,16H,5-10H2,(H,21,24)
InChIKeyAGFJUIDYNHNAGA-UHFFFAOYSA-N
XLogP2.54
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one (CID 102561958) is 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one is O=C1NCCN(C(=O)c2coc(C3CCOCC3)n2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one?
The InChIKey is AGFJUIDYNHNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-14-4-2-1-3-13(14)16-17(24)21-7-8-23(16)19(25)15-11-27-18(22-15)12-5-9-26-10-6-12/h1-4,11-12,16H,5-10H2,(H,21,24).
What are the key properties of 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one?
3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one has a molecular weight of 389.84 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 102561958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).