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

C19H20ClN5O2 — CID 70747339

IUPAC1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESCc1ccc(-c2nnc(CN3CCN(c4ccccc4Cl)C(=O)C3)o2)n1C
InChIInChI=1S/C19H20ClN5O2/c1-13-7-8-16(23(13)2)19-22-21-17(27-19)11-24-9-10-25(18(26)12-24)15-6-4-3-5-14(15)20/h3-8H,9-12H2,1-2H3
InChIKeyITBNEBHQVMACMD-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.89
Rot. Bonds4

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

1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (PubChem CID 70747339) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
PubChem CID70747339
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESCc1ccc(-c2nnc(CN3CCN(c4ccccc4Cl)C(=O)C3)o2)n1C
InChIInChI=1S/C19H20ClN5O2/c1-13-7-8-16(23(13)2)19-22-21-17(27-19)11-24-9-10-25(18(26)12-24)15-6-4-3-5-14(15)20/h3-8H,9-12H2,1-2H3
InChIKeyITBNEBHQVMACMD-UHFFFAOYSA-N
XLogP2.89
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (CID 70747339) is 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is Cc1ccc(-c2nnc(CN3CCN(c4ccccc4Cl)C(=O)C3)o2)n1C.
What is the InChIKey of 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The InChIKey is ITBNEBHQVMACMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-13-7-8-16(23(13)2)19-22-21-17(27-19)11-24-9-10-25(18(26)12-24)15-6-4-3-5-14(15)20/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one has a molecular weight of 385.86 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 70747339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).