4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one

C14H14ClN3O2 — CID 8547828

IUPAC4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-10(2-4-11)12-7-17-14(20-12)9-18-6-5-16-13(19)8-18/h1-4,7H,5-6,8-9H2,(H,16,19)
InChIKeyQXONOAMBYMVDRT-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.93
Rot. Bonds3

About 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one

4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one (PubChem CID 8547828) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one
PubChem CID8547828
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-10(2-4-11)12-7-17-14(20-12)9-18-6-5-16-13(19)8-18/h1-4,7H,5-6,8-9H2,(H,16,19)
InChIKeyQXONOAMBYMVDRT-UHFFFAOYSA-N
XLogP1.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one (CID 8547828) is 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one is O=C1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one?
The InChIKey is QXONOAMBYMVDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-3-1-10(2-4-11)12-7-17-14(20-12)9-18-6-5-16-13(19)8-18/h1-4,7H,5-6,8-9H2,(H,16,19).
What are the key properties of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one?
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one has a molecular weight of 291.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 8547828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).